AG00031B

100858-32-0 | 1-Pyrrolidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester, (3S)-

AG00031B

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CAS Number	100858-32-0
Catalog Number	AG00031B(AGN-PC-0NV2Z3)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester, (3S)-
IUPAC Name	benzyl (3S)-3-hydroxypyrrolidine-1-carboxylate
InChI	InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m0/s1
InChI Key	MBLJFGOKYTZKMH-NSHDSACASA-N
MDL Number	MFCD07784363
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
SMILES	O[C@@H]1CN(C(OCC2=CC=CC=C2)=O)CC1
Synonyms	100858-32-0, (S)-(+)-1-Cbz-3-pyrrolidinol, (S)-N-Cbz-3-hydroxypyrrolidine, (S)-1-Cbz-3-pyrrolidinol, (S)-1-Carbobenzoxy-3-pyrrolidinol, (S)-3-Hydroxy-pyrrolidine-1-carboxylic acid benzyl ester, (S)-1-Benzyloxycarbonyl-3-pyrrolidinol, 1-Pyrrolidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester, (3S)-, BENZYL (3S)-3-HYDROXYPYRROLIDINE-1-CARBOXYLATE, (S)-benzyl 3-hydroxypyrrolidine-1-carboxylate, cbz-(S)-pyrrolidin-3-ol, (S)-N-Z-3-Pyrrolidinol, SCHEMBL540519, CTK3J1495, DTXSID60540851, MBLJFGOKYTZKMH-NSHDSACASA-N, ACN-S003393, KS-000008VH, ANW-14382, CC0039, MFCD07784363, ZINC16697507, AKOS013153814, AKOS015836881, CC-2025, PB17468, RTR-000260, (S)-1-Carbobenzoxy-3-hydroxypyrrolidine, (S)-1-CBZ-3-HYDROXYPYRROLIDINE, (S)-(+)-1-N-Cbz-3-hydroxypyrrolidine, AJ-69356, AS-37238, CJ-15600, (S)-(+)-1-Cbz-3-pyrrolidinol, 95%, (3S)-1-(Benzyloxycarbonyl)-3-pyrrolidinol, AB0034384, AB1001326, DB-024565, ST2414515, TL8000076, TR-000260, FT-0648121, TL80090965, X8530, benzyl (S)-3-hydroxypyrrolidine-1-carboxylate, benzyl(3s)-3-hydroxypyrrolidine-1-carboxylate, H67007, Q-4024, (S)-(+)-1-Benzyloxycarbonyl-3-hydroxypyrrolidine, 858C320, J-000238, (S)-3-hydroxy-1-pyrrolidinecarboxylic acid, phenylmethyl ester, C12H15NO3, CB12007, benzyl 3-hydroxypyrrolidine-1-carboxylate, C2453, benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate, (S)-( )-1-Cbz-3-pyrrolidinol, 98%, ee: 98% - 1G 1g, 100858-33-1, 95656-88-5,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	221.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.256g/mol
Monoisotopic Mass	221.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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