1-Methyl-5-aminomethylimidazole - CAS 486414-86-2

Catalog:	BB026566
Product Name:	1-Methyl-5-aminomethylimidazole
CAS:	486414-86-2
Synonyms:	(3-methyl-4-imidazolyl)methanamine; (3-methylimidazol-4-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(3-methylimidazol-4-yl)methanamine
Description:	1-Methyl-5-aminomethylimidazole (CAS# 486414-86-2) is a compound useful in organic synthesis.
Molecular Weight:	111.15
Molecular Formula:	C5H9N3
Canonical SMILES:	CN1C=NC=C1CN
InChI:	InChI=1S/C5H9N3/c1-8-4-7-3-5(8)2-6/h3-4H,2,6H2,1H3
InChI Key:	PYAQTQXFMQWCHQ-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
WO-2021094209-A1	Substituted pyrrolo triazine carboxamide derivatives as prostaglandin ep3 receptor antagonists	20191112
WO-2021035101-A1	Molecules that bind to tdp-43 for the treatment of amyotrophic lateral sclerosis and related disorders	20190822
CN-112028870-A	Compound with benzyloxy aromatic ring structure, preparation method and application thereof	20190604
WO-2020244518-A1	Compound with benzyloxy aromatic ring structure, preparation method and use thereof	20190604
JP-2020200308-A	Combinations for the treatment of NASH / NAFLD and related diseases	20190520

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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:	111.0796473
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	111.0796473
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1