AG001F1Q

147636-36-0 | 4-Piperidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-

AG001F1Q

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CAS Number	147636-36-0
Catalog Number	AG001F1Q(AGN-PC-0JVP2F)
Chemical Name	4-Piperidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-
IUPAC Name	1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
InChI	InChI=1S/C13H17NO4S/c1-10-2-4-12(5-3-10)19(17,18)14-8-6-11(7-9-14)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16)
InChI Key	YJRQMKSUAIKDDF-UHFFFAOYSA-N
MDL Number	MFCD00723645
Molecular Formula	C13H17NO4S
Molecular Weight	283.3434
SMILES	O=C(C1CCN(S(=O)(C2=CC=C(C)C=C2)=O)CC1)O
Synonyms	147636-36-0, 1-tosylpiperidine-4-carboxylic acid, 1-[(4-Methylphenyl)sulfonyl]-4-piperidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylic acid, 1-(4-methylbenzenesulfonyl)piperidine-4-carboxylic acid, 4-Piperidinecarboxylicacid, 1-[(4-methylphenyl)sulfonyl]-, 4-Piperidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, BAS 05018900, CBMicro_005939, AC1LEL84, Cambridge id 6050627, Oprea1_079712, Oprea1_494324, MLS000856566, ACMC-20n589, SCHEMBL6519601, CHEMBL1888502, CTK0I0738, KS-00000GYN, DTXSID80353288, YJRQMKSUAIKDDF-UHFFFAOYSA-N, HMS2687B14, ZINC169239, ALBB-006454, SMSF0012511, 4530AD, BBL001479, HTS028143, MFCD00723645, SBB039079, STK502151, AKOS000121803, CB08105, MCULE-1967587984, RP15577, VP80073, AJ-17097, AK124053, methylphenylsulfonylpiperidinecarboxylicacid, SMR000274923, BIM-0005781.P001, AB0133488, DB-042894, ST2403508, 4CH-017472, FT-0643411, R3721, ST50046279, 4R-1329, I04-4565, J-505164, 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid, 1-(Toluene-4-sulfonyl)-piperidine-4-carboxylic acid, Z45524835, F0306-0037, 1-(4-Methylbenzene-1-sulfonyl)piperidine-4-carboxylic acid, 5-[(3-chloro-2-methylphenyl)sulfonyl]-1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine, C13H17NO4S, CID737840, 1-[ SULFONYL]-4-PIPERIDINECARBOXYLICACID,

Complexity	412
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.088g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	283.342g/mol
Monoisotopic Mass	283.088g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	83.1A^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-H402
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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