2-(Aminomethyl)-5-bromo-4-methylpyridine - CAS 886364-90-5

Catalog:	BB039045
Product Name:	2-(Aminomethyl)-5-bromo-4-methylpyridine
CAS:	886364-90-5
Synonyms:	(5-bromo-4-methyl-2-pyridinyl)methanamine; (5-bromo-4-methylpyridin-2-yl)methanamine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(5-bromo-4-methylpyridin-2-yl)methanamine
Description:	2-(Aminomethyl)-5-bromo-4-methylpyridine (CAS# 886364-90-5 ) is a useful research chemical.
Molecular Weight:	201.06
Molecular Formula:	C7H9BrN2
Canonical SMILES:	CC1=CC(=NC=C1Br)CN
InChI:	InChI=1S/C7H9BrN2/c1-5-2-6(3-9)10-4-7(5)8/h2,4H,3,9H2,1H3
InChI Key:	MTLADBRRYAKZSX-UHFFFAOYSA-N
LogP:	2.31150

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.99491
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.99491
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8