AG003E6Y

242459-81-0 | BENZYL 3-(BROMOMETHYL)PIPERIDINE-1-CARBOXYLATE

AG003E6Y

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CAS Number	242459-81-0
Catalog Number	AG003E6Y(AGN-PC-03X63U)
Chemical Name	BENZYL 3-(BROMOMETHYL)PIPERIDINE-1-CARBOXYLATE
IUPAC Name	benzyl 3-(bromomethyl)piperidine-1-carboxylate
InChI	InChI=1S/C14H18BrNO2/c15-9-13-7-4-8-16(10-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChI Key	YXSCVZBVAAVNKV-UHFFFAOYSA-N
MDL Number	MFCD06410596
Molecular Formula	C14H18BrNO2
Molecular Weight	312.2022
SMILES	O=C(N1CC(CBr)CCC1)OCC2=CC=CC=C2
Synonyms	242459-81-0, 1-CBZ-3-(BROMOMETHYL)PIPERIDINE, BENZYL 3-(BROMOMETHYL)PIPERIDINE-1-CARBOXYLATE, 3-Bromomethyl-piperidine-1-carboxylic acid benzyl ester, SCHEMBL1843641, KS-00000EBW, DTXSID80629495, YXSCVZBVAAVNKV-UHFFFAOYSA-N, 6535AJ, MFCD06410596, AKOS022184074, AB24696, FCH2808783, TRA0042957, AM100558, AS-42383, SY016375, AB0052090, AX8269059, TC-306705, benzyl 3-(bromomethyl)-1-piperidinecarboxylate, K-6523, MFCD06410596 (97+%), phenylmethyl 3-(bromomethyl)-1-piperidinecarboxylate, 3-Bromomethylpiperidine-1-carboxylic acid benzyl ester, 1-Piperidinecarboxylic acid, 3-(bromomethyl)-, phenylmethyl ester, C14H18BrNO2, 13301-04-7,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.052g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	312.207g/mol
Monoisotopic Mass	311.052g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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