基本描述

别名	(S)-(-)-1-苯乙胺 \| (S)-(-)-1-苯基乙胺
英文别名	(1 S)-1-phenylethanamine \| (s)-alpha-methylbenzyl amine \| .ALPHA.-METHYLBENZYLAMINE (-)-FORM [MI] \| RQEUFEKYXDPUSK-ZETCQYMHSA-N \| (s)-(-)-phenethylamine \| (S)-alpha-Methylbenzylamine \| (S)-alpha-methyl-benzylamine \| AC-8774 \| L-(-)-alpha-Phenylethylamine
规格或纯度	≥99%(GC)
英文名称	(S)-(-)-1-Phenylethylamine
储存温度	2-8°C储存,充氩
运输条件	冰袋运输
产品介绍	微溶于水，溶于大多数有机溶剂，和醇及醚混溶。(S)-(-)-α-甲基苄胺与2-甲酰基苯基硼酸可一起用于衍生化实验方案以分析手性二醇的对映体过量值。它也可以用于： · 非对映选择性合成 S-氨基腈。 · 作为合成(S)-(-)-N-乙酰萼卷豆碱或(R)-(+)-N-乙酰萼卷豆碱的手性助剂。 · 作为1-取代四氢-β-咔啉不对称合成的手性合成砌块。用于一锅多组分合成高度取代的手性吡咯。

AI解读

关联靶点（人）

MAOB Tclin Monoamine oxidase B (8835 活性数据)

点击查看靶蛋白信息： MAOB

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PNMT Tchem Phenylethanolamine N-methyltransferase (540 活性数据)

点击查看靶蛋白信息： PNMT

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Bos taurus (956 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Grin1 Glutamate NMDA receptor (6467 活性数据)

点击查看靶蛋白信息： Grin1

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Adra2c Adrenergic receptor alpha-2 (3313 活性数据)

点击查看靶蛋白信息： Adra2c

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	488185169
EC号	220-098-0
分子类型	小分子
IUPAC Name	(1S)-1-phenylethanamine
INCHI	InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
InChi Key	RQEUFEKYXDPUSK-ZETCQYMHSA-N
Canonical SMILES	CC(C1=CC=CC=C1)N
Isomeric SMILES	C[C@@H](C1=CC=CC=C1)N
WGK Germany	1
RTECS	DP5775000
PubChem CID	75818
UN Number	2922
分子量	121.18
Beilstein号	2204907
Reaxy-Rn	3648466

化学和物理性质

溶解性	Slightly miscible with water.
密度	0.94
敏感性	空气及湿度敏感
折光率	1.526
比旋光度	-39 ° (neat)
闪点(℉)	158 °F
闪点(℃)	70 °C
沸点	187°C
熔点	-10°C
分子量	121.180 g/mol
XLogP3	1.200
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	1
可旋转键计数Rotatable Bond Count	1
精确质量Exact Mass	121.089 Da
单同位素质量Monoisotopic Mass	121.089 Da
拓扑极表面积Topological Polar Surface Area	26.000 Å²
重原子数Heavy Atom Count	9
形式电荷Formal Charge	0
复杂度Complexity	74.600
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	1
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

象形图	GHS06, GHS05
信号词	Danger
危险声明	H311: 皮肤接触有毒 H314: 造成严重的皮肤灼伤和眼睛损伤 H302: 吞食有害
预防措施声明	P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P310: 立即致电解毒中心或医生。
WGK Germany	1
RTECS	DP5775000
Reaxy-Rn	3648466
个人防护装备	Faceshields,full-face respirator (US),Gloves,Goggles,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

技术规格说明书

Enantiometric Excess	98-100（%）
Purity(GC)	99-100（%）
Purity(Titration by HClO4)	97.5-102.5（%）
Refractive index n20/D	1.525-1.528
Density (20°C)	0.951-0.956
Specific Rotation [a]20/D(c=Neat)	-41--37（°）
Appearance（M105679)	Colorless to Very Light Yellow liquid
Proton NMR spectrum	Conforms to Structure

技术规格说明书

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C of A & Other Certificates(BSE/TSE, COO):

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找到20个结果

批号(Lot Number)	证书类型	日期	货号
D2101348	分析证书	25-01-13	M105679
D2101350	分析证书	25-01-13	M105679
J2320517	分析证书	23-10-10	M105679
J2320516	分析证书	23-10-10	M105679
K1928212	分析证书	23-09-11	M105679
G2326568	分析证书	23-06-29	M105679
G2326559	分析证书	23-06-29	M105679
G2326335	分析证书	23-06-29	M105679
G2326330	分析证书	23-06-29	M105679
G2326328	分析证书	23-06-29	M105679
E2309724	分析证书	22-12-03	M105679
E2309727	分析证书	22-12-03	M105679
E2309718	分析证书	22-12-03	M105679
E2309715	分析证书	22-12-03	M105679
E2309710	分析证书	22-12-03	M105679
E2309703	分析证书	22-12-03	M105679
B2525066	分析证书	22-12-03	M105679
B2226302	分析证书	21-12-21	M105679
B2226306	分析证书	21-12-21	M105679
B2226303	分析证书	21-12-21	M105679

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此产品的引用文献

如何在您的发表作品中引用阿拉丁的产品和网站?

1. Qian Wang, Limei Sheng, Xuan Guo, Rong Chen, Chengjie Zhou, Fu Yang. (2023) Functionalized poly(ionic liquid)s bridging Pd NPs and lipase for highly efficient dynamic kinetic resolution of chiral amine. APPLIED CATALYSIS A-GENERAL, 666 (21): (119426). [PMID:9030514] [10.1016/j.apcata.2023.119426]
2. Bing Tang, Shixun Wang, Haochen Liu, Nanli Mou, Arsenii S. Portniagin, Peigang Chen, Ye Wu, Xiaoqing Gao, Dangyuan Lei, Andrey L. Rogach. (2023) Chiral Ligand-Induced Inversion and Tuning of Excitonic Optical Activity in Intrinsically Chiral CsPbBr3 Perovskite Nanoplatelets. Advanced Optical Materials, (2301524). [10.1002/adom.202301524]
3. Zhangchuan Wen, Rong Lu, Fan Gu, Kai Zheng, Lijie Zhang, Huile Jin, Yihuang Chen, Shun Wang, Shuang Pan. (2022) Enabling Efficient Blue-Emissive Circularly Polarized Luminescence by In Situ Crafting of Chiral Quasi-2D Perovskite Nanosheets within Polymer Nanofibers. ADVANCED FUNCTIONAL MATERIALS, 33 (7): (2212095). [10.1002/adfm.202212095]
4. Datong Wu, Cong Ma, Ting Wan, Pengfen Zhu, Yong Kong. (2022) Strategies to synthesize a chiral helical polymer accompanying with two stereogenic centers for chiral electroanalysis. ANALYTICA CHIMICA ACTA, 1206 (339810). [PMID:35473883] [10.1016/j.aca.2022.339810]
5. Xu Zhu, Ruiying Wang, Yafang Ge, Yingling Dong, Benlai Wu. (2022) A new two-dimensional homochiral cadmium(II) coordination polymer: synthesis, structure determination, optical properties, and fluorescent sensing. JOURNAL OF COORDINATION CHEMISTRY, [10.1080/00958972.2021.2007891]
6. Youming Huang, Hongyi Chen, Wenting Zheng, Qingle Zeng. (2020) Cu2O-catalyzed C–S coupling of quaternary ammonium salts and sodium alkane-/arene-sulfinates. TETRAHEDRON LETTERS, 61 (152320). [10.1016/j.tetlet.2020.152320]
7. Lei Shi,Yizhan Wang,Bao Li,Lixin Wu. (2014-05-09) Polyoxometalate complexes for oxidative kinetic resolution of secondary alcohols: unique effects of chiral environment, immobilization and aggregation.. Dalton transactions (Cambridge, England : 2003), 43 ((24)): (9177-9188). [PMID:24810246]

参考文献

1. R Moaddel,S Patel,K Jozwiak,R Yamaguchi,P C Ho,I W Wainer. (2005-08-23) Enantioselective binding to the human organic cation transporter-1 (hOCT1) determined using an immobilized hOCT1 liquid chromatographic stationary phase.. Chirality, 17 ((8)): (501-506). [PMID:16113995]
2. Tran Quoc Trung,Jong Moon Kim,Kyeong Ho Kim. (2006-02-24) Preparative method of R-(-)-lbuprofen by diastereomer crystallization.. Archives of pharmacal research, 29 ((1)): (108-111). [PMID:16491852]
3. Maria Cammenberg,Karl Hult,Seongsoon Park. (2006-09-23) Molecular basis for the enhanced lipase-catalyzed N-acylation of 1-phenylethanamine with methoxyacetate.. Chembiochem : a European journal of chemical biology, 7 ((11)): (1745-1749). [PMID:16991170]
4. Antoine Fadel,Nabil Lahrache. (2007-01-30) An efficient synthesis of enantiomerically pure (R)-pipecolic acid, (S)-proline, and their N-alkylated derivatives.. The Journal of organic chemistry, 72 ((5)): (1780-1784). [PMID:17256910]
5. Abraham R Martin,David Shonnard,Sachin Pannuri,Sanjay Kamat. (2007-06-22) Characterization of free and immobilized (S)-aminotransferase for acetophenone production.. Applied microbiology and biotechnology, 76 ((4)): (843-851). [PMID:17581749]
6. Andrew T Fischer,Richard M Pagni,Robert N Compton. (2007-06-23) A study of the liquid and solvent properties of optically active and racemic alpha-methylbenzylamine.. The journal of physical chemistry. B, 111 ((28)): (8187-8196). [PMID:17583940]
7. G Palaprat,J-D Marty,D Langevin,H Finkelmann,M Mauzac. (2007-07-20) Enantioselective absorption of chirally doped liquid crystalline networks studied by the use of an electronic microbalance.. The journal of physical chemistry. B, 111 ((31)): (9239-9243). [PMID:17636978]
8. Hans-Jürgen Federsel,Martin Hedberg,Fredrik R Qvarnström,Magnus P T Sjögren,Wei Tian. (2007-08-03) Construction of a chiral central nervous system (CNS)-active aminotetralin drug compound based on a synthesis strategy using multitasking properties of (S)-1-phenylethylamine.. Accounts of chemical research, 40 ((12)): (1377-1384). [PMID:17668920]
9. Ramón Guzmán-Mejía,Gloria Reyes-Rangel,Eusebio Juaristi. (2007-11-17) Preparation of chiral derivatives of beta-Ala containing the alpha-phenylethyl group: useful starting materials for the asymmetric synthesis of beta-amino acids.. Nature protocols, 2 ((11)): (2759-2766). [PMID:18007611]
10. Yan-Song Zheng,Ao Ji,Xian-Jie Chen,Jin-Lan Zhou. (2007-11-21) Enantioselective nanofiber-spinning of chiral calixarene receptor with guest.. Chemical communications (Cambridge, England), ((32)(32)): (3398-3400). [PMID:18019510]
11. Paul E Harrington,Christopher Fotsch. (2008-01-29) Calcium sensing receptor activators: calcimimetics.. Current medicinal chemistry, 14 ((28)): (3027-3034). [PMID:18220738]
12. Andrew M Kelly,Yolanda Pérez-Fuertes,John S Fossey,Sonia Lozano Yeste,Steven D Bull,Tony D James. (2008-02-16) Simple protocols for NMR analysis of the enantiomeric purity of chiral diols.. Nature protocols, 3 ((2)): (215-219). [PMID:18274523]
13. Hyungdon Yun,Byung-Gee Kim. (2008-11-11) Asymmetric synthesis of (S)-alpha-methylbenzylamine by recombinant Escherichia coli co-expressing omega-transaminase and acetolactate synthase.. Bioscience, biotechnology, and biochemistry, 72 ((11)): (3030-3033). [PMID:18997410]
14. Bartosz Lewandowski,Slawomir Jarosz. (2008-12-03) Chiral recognition of alpha-phenylethylamine by sucrose-based macrocyclic receptors.. Chemical communications (Cambridge, England), ((47)(47)): (6399-6401). [PMID:19048168]
15. Shao-Hua Huang,Zheng-Wu Bai,Ji-Wen Feng. (2009-02-19) Chiral self-discrimination of the enantiomers of alpha-phenylethylamine derivatives in proton NMR.. Magnetic resonance in chemistry : MRC, 47 ((5)): (423-427). [PMID:19224544]
16. Carlos Fernandes,Elisabeth Pereira,Sophie Faure,David J Aitken. (2009-03-17) Expedient preparation of all isomers of 2-aminocyclobutanecarboxylic acid in enantiomerically pure form.. The Journal of organic chemistry, 74 ((8)): (3217-3220). [PMID:19284796]
17. Michael L Berger,Anna Schweifer,Patrick Rebernik,Friedrich Hammerschmidt. (2009-04-07) NMDA receptor affinities of 1,2-diphenylethylamine and 1-(1,2-diphenylethyl)piperidine enantiomers and of related compounds.. Bioorganic & medicinal chemistry, 17 ((9)): (3456-3462). [PMID:19345586]
18. Jinzhao Wang,Su Zeng,Danhua Wang,Gongyun Hu. (2009-10-07) [Determination of optical purity of alpha-phenylethylamine by high performance liquid chromatography with pre-column derivatization].. Se pu = Chinese journal of chromatography, 27 ((3)): (376-378). [PMID:19803150]
19. Manuel Algarra,José E Rodríguez-Borges,Joaquim C G Esteves da Silva. (2009-12-31) LC-MS identification of derivatized free fatty acids from adipocere in soil samples.. Journal of separation science, 33 ((2)): (143-154). [PMID:20041447]
20. Christian Merten,Marc Amkreutz,Andreas Hartwig. (2010-02-27) VCD study of alpha-methylbenzyl amine derivatives: detection of the unchanged chiral motif.. Chirality, 22 ((8)): (754-761). [PMID:20186757]
21. Ignacio Caretti,Emma Carter,Ian A Fallis,Damien M Murphy,Sabine Van Doorslaer. (2011-10-14) Interactions of an asymmetric amine with a non-C2 symmetric Cu-salen complex: an EPR/ENDOR and HYSCORE investigation.. Physical chemistry chemical physics : PCCP, 13 ((45)): (20427-20434). [PMID:21993696]
22. Alejandra León,J Antonio Cogordán,Olov Sterner,Guillermo Delgado. (2012-05-12) Enantiomeric derivatives of tokinolide B: absolute configuration and biological properties.. Journal of natural products, 75 ((5)): (859-864). [PMID:22574648]
23. Barry Lygo,Umar Butt,Maria Cormack. (2012-05-23) Synthesis and evaluation of atropos dihydro-5H-dibenzazepinium halide PTCs derived from α-methylbenzylamine.. Organic & biomolecular chemistry, 10 ((25)): (4968-4976). [PMID:22614161]
24. Sachin R Chaudhari,N Suryaprakash. (2012-06-28) Simple and efficient methods for discrimination of chiral diacids and chiral alpha-methyl amines.. Organic & biomolecular chemistry, 10 ((31)): (6410-6419). [PMID:22735343]
25. Zhixu Zhou,Linwei Li,Ning Yan,Lei Du,Changshan Sun,Tiemin Sun. (2015-11-28) Synthesis, Crystal Structure, Absolute Configuration and Antitumor Activity of the Enantiomers of 5-Bromo-2-chloro-N-(1-phenylethyl)pyridine-3-sulfonamide.. Molecules (Basel, Switzerland), 20 ((11)): (20926-20938). [PMID:26610458]
26. Qian Wang, Limei Sheng, Xuan Guo, Rong Chen, Chengjie Zhou, Fu Yang. (2023) Functionalized poly(ionic liquid)s bridging Pd NPs and lipase for highly efficient dynamic kinetic resolution of chiral amine. APPLIED CATALYSIS A-GENERAL, 666 (21): (119426). [PMID:9030514] [10.1016/j.apcata.2023.119426]
27. Bing Tang, Shixun Wang, Haochen Liu, Nanli Mou, Arsenii S. Portniagin, Peigang Chen, Ye Wu, Xiaoqing Gao, Dangyuan Lei, Andrey L. Rogach. (2023) Chiral Ligand-Induced Inversion and Tuning of Excitonic Optical Activity in Intrinsically Chiral CsPbBr3 Perovskite Nanoplatelets. Advanced Optical Materials, (2301524). [10.1002/adom.202301524]
28. Zhangchuan Wen, Rong Lu, Fan Gu, Kai Zheng, Lijie Zhang, Huile Jin, Yihuang Chen, Shun Wang, Shuang Pan. (2022) Enabling Efficient Blue-Emissive Circularly Polarized Luminescence by In Situ Crafting of Chiral Quasi-2D Perovskite Nanosheets within Polymer Nanofibers. ADVANCED FUNCTIONAL MATERIALS, 33 (7): (2212095). [10.1002/adfm.202212095]
29. Datong Wu, Cong Ma, Ting Wan, Pengfen Zhu, Yong Kong. (2022) Strategies to synthesize a chiral helical polymer accompanying with two stereogenic centers for chiral electroanalysis. ANALYTICA CHIMICA ACTA, 1206 (339810). [PMID:35473883] [10.1016/j.aca.2022.339810]
30. Xu Zhu, Ruiying Wang, Yafang Ge, Yingling Dong, Benlai Wu. (2022) A new two-dimensional homochiral cadmium(II) coordination polymer: synthesis, structure determination, optical properties, and fluorescent sensing. JOURNAL OF COORDINATION CHEMISTRY, [10.1080/00958972.2021.2007891]
31. Youming Huang, Hongyi Chen, Wenting Zheng, Qingle Zeng. (2020) Cu2O-catalyzed C–S coupling of quaternary ammonium salts and sodium alkane-/arene-sulfinates. TETRAHEDRON LETTERS, 61 (152320). [10.1016/j.tetlet.2020.152320]
32. Lei Shi,Yizhan Wang,Bao Li,Lixin Wu. (2014-05-09) Polyoxometalate complexes for oxidative kinetic resolution of secondary alcohols: unique effects of chiral environment, immobilization and aggregation.. Dalton transactions (Cambridge, England : 2003), 43 ((24)): (9177-9188). [PMID:24810246]

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货号 (SKU)	包装规格	是否现货
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M105679-100ml	100ml	现货
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(S)-(-)- α-甲基苄胺

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基本描述

AI解读

关联靶点（人）

关联靶点（其它种属）

作用机制

名称和识别符

化学和物理性质

安全和危险性（GHS）

技术规格说明书

质检证书（CoA,COO,BSE/TSE 和分析图谱)

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