AG00BYO4

31795-93-4 | N-Benzyl-L-proline

AG00BYO4

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CAS Number	31795-93-4
Catalog Number	AG00BYO4(AGN-PC-0O8V40)
Chemical Name	N-Benzyl-L-proline
IUPAC Name	(2S)-1-benzylpyrrolidine-2-carboxylic acid
InChI	InChI=1S/C12H15NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)/t11-/m0/s1
InChI Key	XNROFTAJEGCDCT-NSHDSACASA-N
MDL Number	MFCD00235894
Molecular Formula	C12H15NO2
Molecular Weight	205.2530
SMILES	O=C(O)[C@H]1N(CC2=CC=CC=C2)CCC1
Synonyms	N-benzyl-L-proline, 31795-93-4, n-benzyl-l-proline, (S)-1-benzylpyrrolidine-2-carboxylic acid, (2S)-1-benzylpyrrolidine-2-carboxylic acid, (s)-1-n-benzyl-proline, 1-benzyl-l-proline, n-benzyl-(s)-proline, 1-n-benzyl-proline, Proline, 1-(phenylmethyl)-, (s)-1-benzyl-pyrrolidine-2-carboxylic acid, (2s)-1-benzyl-pyrrolidine-2-carboxylic acid, Q-102875, N-benzylproline, (S)-1-N-(benzyl)-l-proline, bzl-pro-oh, N-benzyl proline, AK-44641, ZERO/001528, AC1LE1CS, (S)-1-N-Benzylproline, AC1Q5R5W, TimTec1_002764, 1-?phenylnethyl)-L-proline, L-Proline,1-(phenylmethyl)-, SCHEMBL1819248, CTK4G7754, KS-00000KIL, DTXSID20352538, XNROFTAJEGCDCT-NSHDSACASA-N, HMS1541N14, ZINC139537, ZX-AT004367, ZX-CM012717, ANW-61395, MFCD00235894, SBB012623, AKOS015839177, AKOS016002861, AB05318, FCH1684447, FS-2275, MCULE-6026687980, MCULE-9999935510, OR13357, RP04536, NCGC00173771-01, AJ-12374, SC-24266, ST038195, AB0048541, AX8033185, DB-019301, TC-070464, FT-0658693, ST24035751, Y8693, (2S)-1-benzyl-pyrrolidin-2-yl carboxylic acid, K-7472, SR-01000533856, 1-benzyl-pyrrolidine-2-carboxylic acid, AldrichCPR, SR-01000533856-1, (2S)-1-benzyltetrahydro-1H-pyrrole-2-carboxylic acid, C12H15NO2, 1-Benzyl-pyrrolidine-2-carboxylic acid, AR-1C1866, CID728719, 1-benzylpyrrolidine-2-carboxylic acid, (2R)-1-benzylpyrrolidine-2-carboxylic acid, 60169-72-4, 3206-35-7, 56080-99-0,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	205.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.257g/mol
Monoisotopic Mass	205.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number