1-Methylimidazole

C4H6N2CAS 616-47-782.11 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C4H6N2
Molar mass
82.11 g/mol
Exact mass
82.0531 Da
Density
1.037 g/mL (at 20 °C)
Melting point
−6 °C
Boiling point
195.5 °C
logP
0.42Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 613-035-00-7), via PubChem.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number
616-47-7
SMILES
Cn1ccnc1
InChIKey
MCTWTZJPVLRJOU-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • 1H-Imidazole, 1-methyl-
  • Imidazole, 1-methyl-
  • 1-Methyl-1H-imidazole
  • N1-Methylimidazole
  • N-Methylimidazole
  • Araldite DY 070
  • DY 070
  • NSC 88064
  • Imicure AMI 1
  • Epikure 201
  • Kaolizer 110

Work with 1-Methylimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(Trimethylsilyl)imidazole18156-74-640 % similar 1-(1-Methylethyl)-1H-imidazole4532-96-140 % similar 1-Ethylimidazole7098-07-940 % similar 1-Propylimidazole35203-44-237 % similar 1,2,4,5-Tetra(1H-imidazol-1-yl)benzene1220714-37-336 % similar 1,3,5-Tri(1H-imidazol-1-yl)benzene528543-96-636 % similar 1-(1H-Imidazol-1-yl)ethanone2466-76-436 % similar 1-(Methylsulfonyl)-1H-imidazole40736-26-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-2-butenenitrile1118-61-2 3-Methylpyrazole1453-58-3 2-Methylimidazole693-98-1 4-Methylpyrazole7554-65-6 1H-Pyrrol-1-amine765-39-9 4-Methylimidazole822-36-6 1-Methyl-1H-pyrazole930-36-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia