AG000V61

1309598-68-2 | Benzenemethanamine, 2,6-difluoro-α-methyl-, hydrochloride (1:1), (αS)-

AG000V61

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CAS Number	1309598-68-2
Catalog Number	AG000V61(AGN-PC-0WCZV8)
Chemical Name	Benzenemethanamine, 2,6-difluoro-α-methyl-, hydrochloride (1:1), (αS)-
IUPAC Name	(1S)-1-(2,6-difluorophenyl)ethanamine;hydrochloride
InChI	InChI=1S/C8H9F2N.ClH/c1-5(11)8-6(9)3-2-4-7(8)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChI Key	PEZUBPXSPPADIL-JEDNCBNOSA-N
MDL Number	MFCD12757708
Molecular Formula	C8H10ClF2N
Molecular Weight	193.6215
SMILES	C[C@H](N)C1=C(F)C=CC=C1F.[H]Cl
Synonyms	(S)-1-(2,6-DIFLUOROPHENYL)ETHANAMINE hydrochloride, 1217473-52-3, 1309598-68-2, (S)-1-(2,6-DIFLUOROPHENYL)ETHANAMINE-HCl, J-502118, AK-42490, (1S)-1-(2,6-Difluorophenyl)ethylamine hydrochloride, SCHEMBL16321559, CTK8E1420, KS-00000OHM, DTXSID50681085, ZX-AP009423, 3968AA, MFCD12757708, AKOS015923175, AKOS015969085, PC48542, DS-14072, AB0000445, AX8209819, ST2402708, (S)-1-(2,6-Difluorophenyl)ethanamine HCl, CS-0040294, (S)-1-(2,6-Difluorophenyl)ethylamine hydrochloride, (1S)-1-(2,6-difluorophenyl)ethan-1-amine hydrochloride, (1S)-1-(2,6-Difluorophenyl)ethan-1-amine--hydrogen chloride (1/1), Benzenemethanamine, 2,6-difluoro-alpha-methyl-, hydrochloride (1:1), (alphaS)-, C8H10ClF2N, ACN-054786, ACN-054789, (S)-1-(2,6-DIFLUOROPHENYL)ETHANAMINE, (R)-1-(2,6-DIFLUOROPHENYL)ETHANAMINE, B-2010, (S)-1-(2,6-Difluorophenyl)ethanamine hydrochloride?,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	193.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	193.622g/mol
Monoisotopic Mass	193.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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