AG00I4B3

220352-38-5 | Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-

AG00I4B3

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CAS Number	220352-38-5
Catalog Number	AG00I4B3(AGN-PC-0O7Y29)
Chemical Name	Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-
EC Number	606-906-8
IUPAC Name	(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
InChI	InChI=1S/C9H9F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2/t6-,9+/m0/s1
InChI Key	QVUBIQNXHRPJKK-IMTBSYHQSA-N
MDL Number	MFCD16621156
Molecular Formula	C9H9F2N
Molecular Weight	169.1713
SMILES	N[C@@H]1C[C@H]1c1ccc(c(c1)F)F
Synonyms	(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine, 220352-38-5, 1006614-49-8, (1R,2S)-rel-2-(3,4-Difluorophenyl)cyclopropanamine, Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-, (1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPAN-1-AMINE, (1R, 2S)-Rel-2-(3, 4-Difluorophenyl)cyclopropanamine, (1R,2S)-2-(3,4-DIFLUORO-PHENYL)-CYCLOPROPYLAMINE, SCHEMBL245340, AMBZ0380, CYC027, CTK8C4134, DTXSID70431443, QVUBIQNXHRPJKK-IMTBSYHQSA-N, ANW-71109, CD0019, MFCD16621156, ZINC33975233, AKOS015951193, AN-6453, FCH1123417, FCH3622330, NE64623, PB31784, RP00032, AC-25874, AJ-86538, SC-65748, AB1008494, AX8238872, TC-159854, AM20090745, CS-0006751, X4777, EN300-196974, (1r-trans)-2-(3,4-difluorophenyl)cyclopropanamine, (1R trans)-2-(3,4-difluorophenyl)cyclopropane amin, (1R,2S)-2-(3,4-Difluorophenyl)cyclopropane-1-amine, Cyclopropanamine,2-(3,4-difluorophenyl)-,(1R,2S)-, (1R TRANS)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPANE AMINE, TRANS-(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPYLAMINE, null, Ticagrelor intermediate A, C9H9F2N, ACN-039982, CID9834068, (1R,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine, (1R,2R)-2-(3,4-difluorophenyl)cyclopropanamine(HCl), Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S), Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-rel-, (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminehydrochloride, 1156491-10-9,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	169.07g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.175g/mol
Monoisotopic Mass	169.07g/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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