AG003BH6

376608-71-8 | (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)ethanoate

AG003BH6

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CAS Number	376608-71-8
Catalog Number	AG003BH6(AGN-PC-0REH3P)
Chemical Name	(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)ethanoate
IUPAC Name	(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2R)-2-hydroxy-2-phenylacetic acid
InChI	InChI=1S/C9H9F2N.C8H8O3/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6,9H,4,12H2;1-5,7,9H,(H,10,11)/t6-,9+;7-/m01/s1
InChI Key	GUESUQPLVFMJIT-KLTOLQSASA-N
MDL Number	MFCD21362980
Molecular Formula	C17H17F2NO3
Molecular Weight	321.3186
SMILES	O[C@@H](C(=O)[O-])C1=CC=CC=C1.FC=1C=C(C=CC1F)[C@H]1[C@@H](C1)[NH3+]
Synonyms	376608-71-8, (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (R)-2-hydroxy-2-phenylacetate, (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate, (1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine; (2R)-2-hydroxy-2-phenylacetic acid, trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine (2R)-2-hydroxy-2-phenylethanoate, AK144636, AMBZ0379, DTXSID60433193, AMX10102, CS-M1881, MFCD21362980, AKOS022186450, ACN-026626, AM85747, EX-7182, SB22099, AC-27491, AS-51549, AB0001014, ST24033565, Z-7970, (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine D-Mandelic acid, (1R,2R)-2-(3,4-Difluorophenyl) Cyclopropanamine (S)-(Carboxylato(Phenyl) Methyl)Holmium, (1R,2R)-2-(3,4-difluorophenyl)cyclopropanamine(S)-(carboxylato(phenyl)methyl), (1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine (2R)-2-hydroxy-2-phenylacetic acid, (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (R)-2-hydroxy-2-phenylacetic acid, (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine; (R)-2-hydroxy-2-phenylacetate, (2R)-Hydroxy(phenyl)acetic acid--(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine (1/1), (|AR)-|A-Hydroxybenzeneacetic Acid compd. with (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine, Benzeneacetic acid,, DPP-8, GUESUQPLVFMJIT-KLTOLQSASA-N, CID9944965, EC 454-140-6, (1r,2s)-2-(3,4-difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate, (1R,2S)-2-(3,4-difluorophenyl)cyclopropylamine (R)-(-)-mandelate, (1R,2R)-2-(3,4-difluorophenyl) cyclopropanamine(S)-(carboxylato(phenyl) methyl)holmium, (1R,2R)-2-(3,4-difluorophenyl)cyclopropanamine(S)-(carboxylato(phenyl)methyl)holmium, trans-(1r,2s)-2-(3,4-difluorophenyl)cyclopropanaminium (2r)-2-hydroxy-2-phenylethanoate, trans-(1R,2S)-2-(3,4-Difluorophenyl-cyclopropanaminium (2R)-2-hydroxy-2-phenylethanoate, (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)ethanoate, 98% - 1G 1g, IUPAC: (1R,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine; (2R)-2-hydroxy-2-phenyl-acetic Acid,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	321.118g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	321.324g/mol
Monoisotopic Mass	321.118g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	83.6A^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

Certificate of Analysis

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