AG003CIS

4187-56-8 | (S)-1-(4-Chlorophenyl)ethanamine

AG003CIS

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CAS Number	4187-56-8
Catalog Number	AG003CIS(AGN-PC-0WA2SE)
Chemical Name	(S)-1-(4-Chlorophenyl)ethanamine
IUPAC Name	(1S)-1-(4-chlorophenyl)ethanamine
InChI	InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1
InChI Key	PINPOEWMCLFRRB-LURJTMIESA-N
MDL Number	MFCD00671640
Molecular Formula	C8H10ClN
Molecular Weight	155.6247
SMILES	C[C@H](N)C1=CC=C(Cl)C=C1
Synonyms	4187-56-8, (S)-1-(4-Chlorophenyl)ethylamine, (S)-1-(4-chlorophenyl)ethanamine, (S)-4-Chloro-alpha-methylbenzylamine, (s)-(-)-1-(4-chlorophenyl)ethylamine, (1S)-1-(4-chlorophenyl)ethanamine, MFCD00671640, (1S)-1-(4-chlorophenyl)ethan-1-amine, (S)-1-(4-Chlorophenyl)ethylamine, 95+%, (sum of isomers), 95% e.e., (S)-1-(4-chlorophenyl)ethan-1-amine, PubChem15221, AC1LT42W, SCHEMBL140922, CTK3J0332, KS-00000WPV, PINPOEWMCLFRRB-LURJTMIESA-N, ZINC1675290, (S)-4-Chloro-|A-methylbenzylamine, (1S)-1-(4-chlorophenyl)ethylamine, (S)-1-(4-chloro-phenyl)ethylamine, (S)-1-(4-chlorophenyl)-ethylamine, (S)-4-Chloro-alpha-methybenzylamine, ANW-29696, (S)-1-(4-chloro-phenyl)-ethylamine, AKOS015840114, AC-9530, CC-1066, RTC-063587, (S)-1-(4-chloro-phenyl)-ethyl amine, [(1S)-1-(4-chlorophenyl)ethyl]amine, AC-26776, AJ-29390, AS-11102, SC-73170, AB1006338, DB-031193, TC-063587, Benzenemethanamine,4-chloro-a-methyl-,(aS)-, CS-0000297, FT-0084270, FT-0605284, M-3092, (S)-4-Chloro-alpha-methylbenzylamine, >=95.0%, I01-6087, (S)-(-)-1-(4-Chlorophenyl)Ethylamine, Chipros , ee 98%, (S)-4-Chloro-alpha-methylbenzylamine, ChiPros(R), produced by BASF, >=95%, -1- ethylamine, C8H10ClN, (S)-1-(4-Chlorophenyl)ethanol, 1-(4-Chlorophenyl)ethylamine, C8 H10 Cl N, NSC42452, ACN-054951, CB10294, CID1550852, A6877, Bencenmetanamina, 4-cloro-?-metil-, (?s)-, (S)-(-)-1-(4-CHLOROPHENYL)ETHYLAMINE-HCl, (S)-(-)-1-(4-Chlorophenyl)ethylamine, 95% - 1G 1g, 99528-42-4,

Complexity	97.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	155.05g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	155.625g/mol
Monoisotopic Mass	155.05g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H317-H318-H330-H411
Packing Group	Ⅱ
Precautionary statements	P260-P280-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310
Signal Words	danger
UN Code	UN 2811

Certificate of Analysis

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