AG00DG7N

56080-99-0 | R-N-BENZYL-PROLINE

AG00DG7N

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CAS Number	56080-99-0
Catalog Number	AG00DG7N(AGN-PC-0OCB1V)
Chemical Name	R-N-BENZYL-PROLINE
IUPAC Name	(2R)-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-/m1/s1
InChI Key	XNROFTAJEGCDCT-LLVKDONJSA-N
MDL Number	MFCD06656733
Molecular Formula	C12H15NO2
Molecular Weight	205.2530
SMILES	C(N1[C@@H](C(=O)O)CCC1)c1ccccc1
Synonyms	56080-99-0, R-N-BENZYL-PROLINE, (2R)-1-benzylpyrrolidine-2-carboxylic acid, N-benzyl-d-proline, (R)-1-Benzyl-pyrrolidine-2-carboxylic acid, (R)-1-Benzylpyrrolidine-2-carboxylic acid, AC1LE1D1, SCHEMBL2587055, D-Proline, 1-(phenylmethyl)-, CTK7I3593, ZINC139543, MFCD06656733, AKOS015855923, KS-0000089U, AJ-12375, DS-12030, SC-54631, (R);-1-Benzylpyrrolidine-2-carboxylic acid, CS-0053504, (R )-1-benzyl-pyrrolidine-2-carboxylic acid, B65926, A829824, (2R)-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid, (2R)-1-(phenylmethyl)pyrrolidine-2-carboxylic acid, N-Benzyl-L-prolinol, 1-benzyl-D-proline hydrochloride, ZERO/001528, CID728722, 53912-80-4,

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-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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