1-methyl-1H-imidazol-5-amine - CAS 66787-75-5

Catalog:	BB033102
Product Name:	1-methyl-1H-imidazol-5-amine
CAS:	66787-75-5
Synonyms:	3-methyl-4-imidazolamine; 3-methylimidazol-4-amine

Technical Data

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Computed Properties

IUPAC Name:	3-methylimidazol-4-amine
Description:	1-methyl-1H-imidazol-5-amine (CAS# 66787-75-5 ) is a useful research chemical.
Molecular Weight:	97.121
Molecular Formula:	C4H7N3
Canonical SMILES:	CN1C=NC=C1N
InChI:	InChI=1S/C4H7N3/c1-7-3-6-2-4(7)5/h2-3H,5H2,1H3
InChI Key:	JKYQSWDQLDFSSJ-UHFFFAOYSA-N
Boiling Point:	362.3 °C at 760 mmHg
Density:	1.261 g/cm³
LogP:	0.58350

Publication Number	Title	Priority Date
KR-20200116978-A	Benzyl-substituted, (pyridin-3-yl)methyl-substituted or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors	20180202
AU-2016231289-A1	Benzazepine dicarboxamide compounds	20150306
DK-3265458-T3	Benzazepindicarboxamide compounds	20150306
EP-3265458-A1	Benzazepine dicarboxamide compounds	20150306
EP-3265458-B1	Benzazepine dicarboxamide compounds	20150306

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	64
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	97.063997236
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	97.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3