AG0038F8

80896-73-7 | Trans-1-Benzyl-4-Phenylpyrrolidine-3-Carboxylic Acid

AG0038F8

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CAS Number	80896-73-7
Catalog Number	AG0038F8(AGN-PC-0UI50A)
Chemical Name	Trans-1-Benzyl-4-Phenylpyrrolidine-3-Carboxylic Acid
IUPAC Name	(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
InChI	InChI=1S/C18H19NO2/c20-18(21)17-13-19(11-14-7-3-1-4-8-14)12-16(17)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16-,17+/m0/s1
InChI Key	IMROELKPEBZHGE-DLBZAZTESA-N
MDL Number	MFCD11845475
Molecular Formula	C18H19NO2
Molecular Weight	281.3490
SMILES	OC(=O)[C@@H]1CN(C[C@H]1c1ccccc1)Cc1ccccc1
Synonyms	Trans-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, 80896-73-7, SCHEMBL12303485, CTK8B4954, ZINC4203369, ANW-46818, MFCD11845475, AKOS015994966, ACN-051136, RP29861, TC-065716, CS-0038709, S-1186, (3S)-1-Benzyl-4alpha-phenylpyrrolidine-3beta-carboxylic acid, 3-Pyrrolidinecarboxylic acid, 4-phenyl-1-(phenylmethyl)-, (3R,4S)-rel-,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	281.142g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	281.355g/mol
Monoisotopic Mass	281.142g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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