AG005OBD

78914-69-9 | (S)-(1-Benzyl-pyrrolidin-3-yl)-methanol

AG005OBD

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CAS Number	78914-69-9
Catalog Number	AG005OBD(AGN-PC-0OI6O2)
Chemical Name	(S)-(1-Benzyl-pyrrolidin-3-yl)-methanol
IUPAC Name	[(3S)-1-benzylpyrrolidin-3-yl]methanol
InChI	InChI=1S/C12H17NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m0/s1
InChI Key	QPQQBJDSKDWQMJ-LBPRGKRZSA-N
MDL Number	MFCD09608006
Molecular Formula	C12H17NO
Molecular Weight	191.2695
SMILES	OC[C@@H]1CN(CC2=CC=CC=C2)CC1
Synonyms	(S)-(1-Benzylpyrrolidin-3-yl)methanol, 78914-69-9, (S)-(1-Benzyl-pyrrolidin-3-yl)-methanol, (S)-1-Benzyl-beta-prolinol, [(3S)-1-benzylpyrrolidin-3-yl]methanol, AC1LTTBO, SCHEMBL5968994, CTK8B4698, (S)-1-BENZYL-b-PROLINOL, DTXSID90363858, ZINC4202932, (S)-1-Benzyl-3-pyrrolidinemethanol, ANW-45909, FCH868886, MFCD09608006, WT1226, AKOS006331270, AB50974, QC-9899, ((S)-1-Benzylpyrrolidin-3-yl)methanol, AC-29341, AJ-48547, AK-86739, TS-02702, AB0026739, AX8227193, TC-134654, AM20120539, FT-0770885, ST24020772, W8474, (3S)-1-(Phenylmethyl)-3-pyrrolidinemethanol, B67252, S-7842, 3-Pyrrolidinemethanol, 1-(phenylmethyl)-, (3S)-, 85353-79-3 (S)-(1-benzylpyrrolidin-3-yl)methanol, C12H17NO, 5731-17-9,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	191.131g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.274g/mol
Monoisotopic Mass	191.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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