AG001QKC

159275-16-8 | 1-Piperidinecarboxylic acid, 4-[[(methylsulfonyl)oxy]methyl]-, phenylmethyl ester

AG001QKC

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CAS Number	159275-16-8
Catalog Number	AG001QKC(AGN-PC-05F089)
Chemical Name	1-Piperidinecarboxylic acid, 4-[[(methylsulfonyl)oxy]methyl]-, phenylmethyl ester
IUPAC Name	benzyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
InChI	InChI=1S/C15H21NO5S/c1-22(18,19)21-12-14-7-9-16(10-8-14)15(17)20-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChI Key	IEWBROJCHGYFSK-UHFFFAOYSA-N
MDL Number	MFCD06409219
Molecular Formula	C15H21NO5S
Molecular Weight	327.3959
SMILES	O=C(N1CCC(COS(=O)(C)=O)CC1)OCC2=CC=CC=C2
Synonyms	159275-16-8, Benzyl 4-(((methylsulfonyl)oxy)methyl)piperidine-1-carboxylate, 1-Cbz-4-(methylsulfonyloxymethyl)piperidine, benzyl 4-[(methanesulfonyloxy)methyl]piperidine-1-carboxylate, benzyl 4-((methylsulfonyloxy)methyl)piperidine-1-carboxylate, 4-(METHANESULFONYLOXYMETHYL)-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER, IEWBROJCHGYFSK-UHFFFAOYSA-N, SCHEMBL460173, CTK4D0019, KS-00000ZFN, DTXSID00651697, ANW-47636, MFCD06409219, ZINC20286773, AKOS015919636, AJ-76976, BR-61178, CJ-16651, SY020428, ST2406682, TC-136381, 4CH-018053, CS-0046829, FT-0687362, W3455, S-5014, MFCD06409219 (95+%), N-benzyloxycarbonylpiperidine-4-methanol mesylate, 1-benzyloxycarbonyl-4-methanesulphonyloxymethylpiperidine, 4-Methanesulphonyloxymethyl-N-benzyloxycarbonylpiperidine, 1-(benzyloxycarbonyl)piperidin-4-ylmethyl methanesulfonate, Benzyl 4-{[(methanesulfonyl)oxy]methyl}piperidine-1-carboxylate, 1-Piperidinecarboxylicacid, 4-[[(methylsulfonyl)oxy]methyl]-, phenylmethyl ester, C15H21NO5S, benzyl 4-(((methylsulfonyl)oxy)methyl)piperidine-1-carboxylate, 95% - 1G 1g,

Complexity	445
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	327.114g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	327.395g/mol
Monoisotopic Mass	327.114g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	81.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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