2-Amino-1-methylimidazole - CAS 6646-51-1

Catalog:	BB033036
Product Name:	2-Amino-1-methylimidazole
CAS:	6646-51-1
Synonyms:	1-methyl-2-imidazolamine; 1-methylimidazol-2-amine

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Computed Properties

IUPAC Name:	1-methylimidazol-2-amine
Description:	2-Amino-1-methylimidazole (CAS# 6646-51-1) is an intermediate in the synthesis of variety of antibacterial and antitumor agents.
Molecular Weight:	97.12
Molecular Formula:	C4H7N3
Canonical SMILES:	CN1C=CN=C1N
InChI:	InChI=1S/C4H7N3/c1-7-3-2-6-4(7)5/h2-3H,1H3,(H2,5,6)
InChI Key:	NQCJWEXYVVFKBT-UHFFFAOYSA-N
Boiling Point:	255.146 °C at 760 mmHg
Density:	1.224 g/cm³
Appearance:	Solid
LogP:	0.58350

Publication Number	Title	Priority Date
CN-111948324-A	Method for simultaneously measuring 10 polar heterocyclic amines in thermal reaction spice	20200927
CN-111679021-A	Solid sample rapid purification kit for heterocyclic amine analysis and purification method	20200706
CN-110396116-B	[ N, O ] bidentate nickel and palladium complex of ketone-imidazoline-2-imine ligand, and preparation method and application thereof	20190711
CN-110118833-A	A kind of synchronous method for detecting 12 kinds of heterocyclic amines in sootiness meat products	20190515
CN-109535133-A	Pyrrole-imidazole class heterocycle polypeptide, the drug comprising pyrrole-imidazole class heterocycle polypeptide and application	20181129

PMID	Publication Date	Title	Journal
20196871	20100303	PARP-1 Val762Ala polymorphism is associated with reduced risk of non-Hodgkin lymphoma in Korean males	BMC medical genetics
19789784	20091021	Synthesis, structure, spectra and reactivity of iron(III) complexes of imidazole and pyrazole containing ligands as functional models for catechol dioxygenases	Dalton transactions (Cambridge, England : 2003)
19694480	20090921	Iron(III) complexes of tripodal monophenolate ligands as models for non-heme catechol dioxygenase enzymes: correlation of dioxygenase activity with ligand stereoelectronic properties	Inorganic chemistry
16539699	20060315	Modest induction of phase 2 enzyme activity in the F-344 rat prostate	BMC cancer
15743503	20050101	SULT1A1 genotype, active and passive smoking, and breast cancer risk by age 50 years in a German case-control study	Breast cancer research : BCR

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

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:	-1.2