AG003AYB

90365-74-5 | (3S,4S)-(+)-1-Benzyl-3,4-pyrrolidindiol

AG003AYB

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CAS Number	90365-74-5
Catalog Number	AG003AYB(AGN-PC-0OMBCH)
Chemical Name	(3S,4S)-(+)-1-Benzyl-3,4-pyrrolidindiol
IUPAC Name	(3S,4S)-1-benzylpyrrolidine-3,4-diol
InChI	InChI=1S/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m0/s1
InChI Key	QJRIUWQPJVPYSO-QWRGUYRKSA-N
MDL Number	MFCD01073893
Molecular Formula	C11H15NO2
Molecular Weight	193.2423
SMILES	O[C@H]1CN(CC2=CC=CC=C2)C[C@@H]1O
Synonyms	(3S,4S)-1-benzylpyrrolidine-3,4-diol, 90365-74-5, (3s,4s)-(+)-1-benzyl-3,4-pyrrolidindiol, (3S,4S)-(+)-1-Benzyl-3,4-pyrrolidinediol, 260389-82-0, (3S,4S)-1-Benzyl-3,4-pyrrolidinediol, (3S,4S)-(-)-1-Benzyl-3,4-pyrrolidindiol, 3,4-Pyrrolidinediol, 1-(phenylmethyl)-, (3S,4S)-, (3S,4S)-(+)-1-Benzyl-3,4-pyrrolidindiol, 97%, MFCD01073893, PubChem18732, AC1MC09K, SCHEMBL84802, CHEMBL2335510, CTK5G7714, QJRIUWQPJVPYSO-QWRGUYRKSA-N, ZINC2572368, ANW-52417, CB-598, AKOS015839146, LS30148, RP25244, AC-13555, AC-22435, AJ-41998, AN-35097, BC206414, BP-12368, BR-36817, DS-13011, SC-33497, SC-74251, AB0027470, DB-009920, TR-028413, (3S,4S)-1-benzyl-3,4-dihydroxypyrrolidine, FT-0649876, ST24020433, ST50406016, W9304, 1-(PHENYLMETHYL)-3,4-PYRROLIDINEDIOL, S-4201, (3s,4s)-1-(phenylmethyl)-3,4-pyrrolidinediol, 365B745, I11-1167, J-501290, J-640399, J-800404, (3S,4S)-(+)-1-Benzyl-3,4-pyrrolidinediol, >=97.0% (sum of enantiomers, HPLC), 330152-66-4, (-)-8-Phenylmenthol, 1-benzylpyrrolidine-3,4-diol, -1-Benzylpyrrolidine-3,4-diol, C11H15NO2, NSC603628, ACN-054581, ACN-054585, CB11920, CID2734057, (3R,4R)-1-Benzylpyrrolidine-3,4-diol, A10791, (3S,4S)-( )-1-Benzyl-3,4-pyrrolidindiol, 97% - 1G 1g, 163439-82-5,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	193.11g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	193.246g/mol
Monoisotopic Mass	193.11g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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