AG007QTC

21319-53-9 | 1-Benzylpiperidine-2-carboxylic acid

AG007QTC

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CAS Number	21319-53-9
Catalog Number	AG007QTC(AGN-PC-0JUT5P)
Chemical Name	1-Benzylpiperidine-2-carboxylic acid
IUPAC Name	1-benzylpiperidine-2-carboxylic acid
InChI	InChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChI Key	FEUCBQVXYVZGCM-UHFFFAOYSA-N
MDL Number	MFCD00756921
Molecular Formula	C13H17NO2
Molecular Weight	219.2796
SMILES	C(C1=CC=CC=C1)N2CCCCC2C(=O)O
Synonyms	1-benzylpiperidine-2-carboxylic acid, 21319-53-9, 1-BENZYL-2-PIPERIDINECARBOXYLIC ACID, 2-Piperidinecarboxylic acid, 1-(phenylmethyl)-, (2R)-2-(Phenylmethyl)butanedioic acid, rac-1-benzylpiperidine-2-carboxylic acid, (2R)-1-Benzyl-2-piperidinecarboxylic acid, MFCD00756921, 759420-46-7, benzyl pipecolinic acid, AC1MDRES, PubChem11060, BAS 00851161, CBMicro_017727, Cambridge id 5326052, SCHEMBL3713831, CTK1A1548, KS-00000GXX, DTXSID00385687, ALBB-029726, CCG-6264, EBD43534, ANW-49729, BBL020258, STK326590, 1-Benzyl-piperidine-2-carboxylic acid, AKOS000125080, AKOS016842299, AB07030, FS-3092, MCULE-7882691691, RP05119, SDCCGMLS-0064782.P001, VP80082, AK-38926, BR-38926, SC-33693, BIM-0017630.P001, AB0023388, DB-045547, RT-004546, FT-0638109, ST24027008, W4432, 2-Piperidinecarboxylicacid, 1-(phenylmethyl)-, A25754, S-1818, AB00080876-01, 319B539, SR-01000204777, SR-01000204777-1, W-206617, C13H17NO2, CID2841641, 1-BENZYLPIPERIDINE-2-CARBOXYLICACID, (S)-1-BENZYLPIPERIDINE-2-CARBOXYLIC ACID, 1-Benzyl-piperidine-2-carboxylic acid 1HCl salt, 210533-45-2,

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

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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