AG003E01

59119-18-5 | 1-Benzyl-4-hydroxypiperidine-4-carboxylic acid

AG003E01

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CAS Number	59119-18-5
Catalog Number	AG003E01(AGN-PC-02SWAD)
Chemical Name	1-Benzyl-4-hydroxypiperidine-4-carboxylic acid
EC Number	611-798-0
IUPAC Name	1-benzyl-4-hydroxypiperidine-4-carboxylic acid
InChI	InChI=1S/C13H17NO3/c15-12(16)13(17)6-8-14(9-7-13)10-11-4-2-1-3-5-11/h1-5,17H,6-10H2,(H,15,16)
InChI Key	AFPNLFVPVQRYFL-UHFFFAOYSA-N
MDL Number	MFCD06208305
Molecular Formula	C13H17NO3
Molecular Weight	235.2790
SMILES	OC(=O)C1(O)CCN(CC2=CC=CC=C2)CC1
Synonyms	59119-18-5, 1-Benzyl-4-hydroxypiperidine-4-carboxylic acid, 1-BENZYL-4-HYDROXY-4-PIPERIDINECARBOXYLIC ACID, 1-benzyl-4-hydroxypiperidine-4-carboxylicacid, 4-Piperidinecarboxylicacid, 4-hydroxy-1-(phenylmethyl)-, PubChem19277, N-Benzyl-4-hydroxy-4-piperidinecarboxylicacid, SCHEMBL1147211, CTK1G9122, KS-00000AGY, DTXSID00606662, AFPNLFVPVQRYFL-UHFFFAOYSA-N, 8789AB, ANW-58316, KM0283, MFCD06208305, WT1042, ZINC37594161, AKOS010486563, MCULE-5086603545, TRA0049502, AJ-94133, AN-39680, SC-49607, SY008401, TS-03314, DB-072576, TC-147061, FT-0766703, 1-benzyl-4-hydroxy-piperidine-4-carboxylic acid, MFCD06208305 (97+%), 119B185, I14-11953, 59119-18-5 1-Benzyl-4-hydroxy-4-piperidinecarboxylic acid, 16-bromohexadecan-1-ol, 16-Bromo-1-hexadecanol, C13H17NO3, A8329, 1-Benzyl-4-hydroxy-4-piperidinecarboxylicacid,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.121g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	235.283g/mol
Monoisotopic Mass	235.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	60.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

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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