AG003CJQ

91599-79-0 | (S)-1-Benzylpiperidin-3-ol

AG003CJQ

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CAS Number	91599-79-0
Catalog Number	AG003CJQ(AGN-PC-0OMRRC)
Chemical Name	(S)-1-Benzylpiperidin-3-ol
IUPAC Name	(3S)-1-benzylpiperidin-3-ol
InChI	InChI=1S/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1
InChI Key	UTTCOAGPVHRUFO-LBPRGKRZSA-N
MDL Number	MFCD03426359
Molecular Formula	C12H17NO
Molecular Weight	191.2695
SMILES	O[C@@H]1CN(CC2=CC=CC=C2)CCC1
Synonyms	91599-79-0, (S)-1-benzylpiperidin-3-ol, (S)-1-Benzyl-3-hydroxypiperidine, (3s)-1-benzylpiperidin-3-ol, (S)-1-N-Benzyl-3-hydroxy-piperidine, (s)-n-benzyl-3-hydroxypiperidine, (S)-1-Benzyl-piperidinol, (S)-1-Benzyl-3-piperidinol, (s)-1-benzyl-piperidin-3-ol, 3-PIPERIDINOL, 1-(PHENYLMETHYL)-, (3S)-, MFCD03426359, (S)-(+)-1-BENZYL-3-HYDROXYPIPERIDINE, N-Benzyl-3-piperidinol, AC1LEWRM, PubChem13102, AC1Q59UN, SCHEMBL5205368, (3S)-1-Benzyl-3-piperidinol, (3S)-1-Benzylpiperidine-3-ol, (s)-1-benzyl-3-hydroxypiperidi, CTK5H0184, ZINC66057, UTTCOAGPVHRUFO-LBPRGKRZSA-N, 1-benzyl(3S)-3-hydroxypiperidine, ACT09001, BCP07765, 1-benzyl-(3S)-3-hydroxypiperidine, (s)-1-n-benzyl-3-hydroxypiperidine, ANW-60758, CB-572, AKOS007930793, AKOS015899793, AB14841, VP80052, AJ-10177, AS-37001, TS-02703, DB-031001, TL8005871, TX-018101, FT-0642208, ST24035750, Y3138, J3.521.849A, (S)-(+)-1-Benzyl-3-hydroxypiperidine, 97%, A13566, B-1390, 599B790, I14-11903, (S)-(+)-1-Benzyl-3-hydroxypiperidine;(S)-1-benzylpiperidin-3-ol, 1-Benzylpiperidin-3-ol, C12H17NO, KST-1A8931, (R)-1-Benzyl-3-hydroxypiperidine, AR-1A4462, CID693762, NSC111182, ACN-052713, CB12028, 14813-01-5, 92491-19-5, 91599-81-4,

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	2
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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