AG00C6KX

321318-17-6 | Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)- (9CI)

AG00C6KX

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CAS Number	321318-17-6
Catalog Number	AG00C6KX(AGN-PC-0R7G95)
Chemical Name	Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)- (9CI)
IUPAC Name	(1S)-1-(3,4-difluorophenyl)ethanamine
InChI	InChI=1S/C8H9F2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m0/s1
InChI Key	AESHLRAPTJZOJL-YFKPBYRVSA-N
MDL Number	MFCD06761759
Molecular Formula	C8H9F2N
Molecular Weight	157.1606
SMILES	C[C@H](N)C1=CC=C(F)C(F)=C1
Synonyms	321318-17-6, (S)-1-(3,4-Difluorophenyl)ethanamine, (1S)-1-(3,4-Difluorophenyl)ethanamine, (1S)-1-(3,4-difluorophenyl)ethan-1-amine, Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)- (9CI), AC1Q29HR, SCHEMBL1585297, CTK5J1381, AESHLRAPTJZOJL-YFKPBYRVSA-N, CS-D0220, ZINC2528598, MFCD06761759, AKOS010368068, WT81647, AJ-38310, (S)-1-(3,4-difluoro-phenyl)-ethylamine, (S)-1-(3,4-difluorophenyl)ethan-1-amine, C3389, FT-0084276, FT-0654999, EN300-55613, 318D176, Benzenemethanamine,3,4-difluoro-a-methyl-,(aS)-, I01-6088, Benzenemethanamine, 3,4-difluoro--methyl-, (alphaS)- (9CI), 1-(3,4-difluorophenyl)ethanamine, ACN-030722, CID7016601, (S)-1-(3,4-DIFLUOROPHENYL)ETHANAMINE-HCl,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	157.07g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	157.164g/mol
Monoisotopic Mass	157.07g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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