N-Methyl-4-bromopiperidine - CAS 76444-51-4

Catalog:	BB035575
Product Name:	N-Methyl-4-bromopiperidine
CAS:	76444-51-4
Synonyms:	4-bromo-1-methylpiperidine; 4-bromo-1-methylpiperidine

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-1-methylpiperidine
Description:	N-Methyl-4-bromopiperidine (CAS# 76444-51-4) is a useful research chemical.
Molecular Weight:	178.07
Molecular Formula:	C6H12BrN
Canonical SMILES:	CN1CCC(CC1)Br
InChI:	InChI=1S/C6H12BrN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
InChI Key:	RTEVQEDKZPFGNP-UHFFFAOYSA-N
Boiling Point:	174.768 °C at 760 mmHg
Density:	1.35 g/cm³
MDL:	MFCD00800245
LogP:	1.41340

Publication Number	Title	Priority Date
CN-111995932-A	Antibacterial powder type coating and preparation method thereof	20200907
WO-2021004467-A1	Compound as porcupine inhibitor and use thereof	20190708
WO-2020242245-A1	Phthalazinone compounds and use thereof	20190529
AU-2018389145-A1	Exo-aza spiro inhibitors of menin-MLL interaction	20171220
WO-2019120209-A1	Exo-aza spiro inhibitors of menin-mll interaction	20171220

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Related Functional Groups

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[1126-09-6]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	66.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.01531
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.01531
Rotatable Bond Count:	0
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6