AG005XWJ

76444-51-4 | 4-Bromo-1-methylpiperidine

AG005XWJ

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CAS Number	76444-51-4
Catalog Number	AG005XWJ(AGN-PC-00ASOO)
Chemical Name	4-Bromo-1-methylpiperidine
IUPAC Name	4-bromo-1-methylpiperidine
InChI	InChI=1S/C6H12BrN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
InChI Key	RTEVQEDKZPFGNP-UHFFFAOYSA-N
MDL Number	MFCD00800245
Molecular Formula	C6H12BrN
Molecular Weight	178.0702
SMILES	CN1CCC(Br)CC1
Synonyms	4-bromo-1-methylpiperidine, 76444-51-4, N-Methyl-4-bromopiperidine, 4-BROMO-N-METHYL PIPERIDINE, Piperidine, 4-bromo-1-methyl-, 4-Brom-N-methylazacyclohexan, 4-Bromo-N-methylpiperidine, 1-Methyl-4-bromopiperidine, Piperidine,4-bromo-1-methyl-, SCHEMBL7073887, CTK5E2950, DTXSID60467978, RTEVQEDKZPFGNP-UHFFFAOYSA-N, KS-00000O0E, ZINC2569986, ANW-61857, MFCD00800245, AKOS006280939, AJ-41811, AK-46364, AS-15062, DA-17496, EN001043, N805, SC-24214, TC-150602, CS-0054167, FT-0749716, ST24043325, M-2660, C6H12BrN, 4-bromo-1-methyl-piperidine, CID11521361,

Complexity	66.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.015g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.073g/mol
Monoisotopic Mass	177.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	3.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P411+P235-P280-P305+P351+P338
Signal Words	warning
UN Code	UN 2811

Certificate of Analysis

Lot Number