1-Methyl-2-imidazolemethanamine - CAS 124312-73-8

Catalog:	BB005873
Product Name:	1-Methyl-2-imidazolemethanamine
CAS:	124312-73-8
Synonyms:	(1-methyl-2-imidazolyl)methanamine; (1-methylimidazol-2-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(1-methylimidazol-2-yl)methanamine
Description:	1-Methyl-2-imidazolemethanamine (CAS# 124312-73-8) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	111.15
Molecular Formula:	C5H9N3
Canonical SMILES:	CN1C=CN=C1CN
InChI:	InChI=1S/C5H9N3/c1-8-3-2-7-5(8)4-6/h2-3H,4,6H2,1H3
InChI Key:	PZSMLGOAJXSDMK-UHFFFAOYSA-N
Boiling Point:	255.1 °C at 760 mmHg
Density:	1.16 g/cm³
Appearance:	Liquid
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD06660876
LogP:	0.53480

Publication Number	Title	Priority Date
WO-2021093172-A1	Hbv inhibitor and use thereof	20191113
WO-2021094209-A1	Substituted pyrrolo triazine carboxamide derivatives as prostaglandin ep3 receptor antagonists	20191112
WO-2021053344-A1	New compounds	20190920
US-2021047287-A1	Nonpeptide somatostatin type 5 receptor agonists and uses thereof	20190814
WO-2019245910-A1	Triazine compounds and uses thereof	20180622

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, 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