4-(Aminomethyl)-1-methylimidazole - CAS 486414-83-9

Catalog:	BB026565
Product Name:	4-(Aminomethyl)-1-methylimidazole
CAS:	486414-83-9
Synonyms:	(1-methyl-4-imidazolyl)methanamine; (1-methylimidazol-4-yl)methanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1-methylimidazol-4-yl)methanamine
Description:	4-(Aminomethyl)-1-methylimidazole (CAS# 486414-83-9) is a useful research chemical.
Molecular Weight:	111.15
Molecular Formula:	C5H9N3
Canonical SMILES:	CN1C=C(N=C1)CN
InChI:	InChI=1S/C5H9N3/c1-8-3-5(2-6)7-4-8/h3-4H,2,6H2,1H3
InChI Key:	YSEAGFBRAQOCFM-UHFFFAOYSA-N
Boiling Point:	292.2 °C at 760 mmHg
Density:	1.16 g/cm³
Appearance:	Solid
LogP:	0.57910

Publication Number	Title	Priority Date
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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (50%): 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:	74.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.079647300
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	111.079647300
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1