AG001HFQ

141943-04-6 | 3-Piperidinecarboxylic acid, 1-(phenylmethyl)-

AG001HFQ

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CAS Number	141943-04-6
Catalog Number	AG001HFQ(AGN-PC-00VA65)
Chemical Name	3-Piperidinecarboxylic acid, 1-(phenylmethyl)-
IUPAC Name	1-benzylpiperidine-3-carboxylic acid
InChI	InChI=1S/C13H17NO2/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChI Key	HGCSHWVOIUCAJN-UHFFFAOYSA-N
MDL Number	MFCD03086172
Molecular Formula	C13H17NO2
Molecular Weight	219.2796
SMILES	OC(=O)C1CCCN(CC2=CC=CC=C2)C1
Synonyms	1-benzylpiperidine-3-carboxylic acid, 141943-04-6, 1-Benzyl-piperidine-3-carboxylic acid, 3-Piperidinecarboxylic acid, 1-(phenylmethyl)-, (R)-1-Benzylpiperidine-3-carboxylic acid, AC1Q74IT, SCHEMBL3844177, CTK4C2872, DTXSID60585601, HGCSHWVOIUCAJN-UHFFFAOYSA-N, ALBB-029724, 1-benzyl-3-piperidinecarboxylic acid, MFCD03086172, STK351719, AKOS000125503, AKOS016042463, MCULE-3373930295, AK109481, BS-14060, SC-13109, DB-063410, BB 0220102, CS-0060534, FT-0730451, ST45127993, EN300-49941, B-1358, 1-Benzylpiperidine-3-carboxylic acid, AldrichCPR, J-504324, 1-Benzylpiperidine-3-carboxylicacid, ACN-031075, 1-Benzyl-piperidine-3-carboxylic acid 1HCl salt, 1-benzylpiperidine-3-carboxylic acid hydrochloride, 1030603-60-1,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.126g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.284g/mol
Monoisotopic Mass	219.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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