4-Amino-1-methylimidazole-5-carbonitrile - CAS 40637-80-7

Name: 4-Amino-1-methylimidazole-5-carbonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024600
Product Name:	4-Amino-1-methylimidazole-5-carbonitrile
CAS:	40637-80-7
Synonyms:	5-amino-3-methyl-4-imidazolecarbonitrile; 5-amino-3-methylimidazole-4-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-amino-3-methylimidazole-4-carbonitrile
Description:	4-Amino-1-methylimidazole-5-carbonitrile (CAS# 40637-80-7) is a useful research chemical.
Molecular Weight:	122.13
Molecular Formula:	C5H6N4
Canonical SMILES:	CN1C=NC(=C1C#N)N
InChI:	InChI=1S/C5H6N4/c1-9-3-8-5(7)4(9)2-6/h3H,7H2,1H3
InChI Key:	MUCJLNAYMQWOJK-UHFFFAOYSA-N
Appearance:	Solid
LogP:	0.45518

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Flexible batch size for diverse industrial demands

Related Functional Groups

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
JP-2006001892-A	Method for producing 3,7 (9) -dihydro-1H-purine-2,6-dithione compound	20040618
JP-4738763-B2	Method for producing 3,7 (9) -dihydro-1H-purine-2,6-dithione compound	20040618
AU-2856899-A	Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine a3 receptor compatibilizing agent, and asthmatic remedy	19980403
CA-2326716-C	Triazolopurine derivative, pharmaceutical composition containing the derivative, adenosine a3 receptor ligand, and remedy for asthma	19980403
CN-1122033-C	Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy	19980403

Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.059246208
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.059246208
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3