chempirical

4-Imidazolemethanol

C4H6N2OCAS 822-55-998.10 g/mol

Open in Covalent MOL file
HONHN
Alcohol

Properties

Molecular formula
C4H6N2O
Molar mass
98.10 g/mol
Exact mass
98.0480 Da
Melting point
206 °C
logP
-0.10Crippen estimate
Polar surface area
48.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
822-55-9
SMILES
OCc1cnc[nH]1
InChIKey
QDYTUZCWBJRHKK-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)

Weigh it out

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

Names and synonyms

11 names
  • 1H-Imidazole-5-methanol
  • Imidazole-4-methanol
  • 1H-Imidazole-4-methanol
  • Imidazole-4(or 5)-methanol
  • 4-(Hydroxymethyl)imidazole
  • 4-Methylol-1H-imidazole
  • 4-Imidazolylmethanol
  • 5-(Hydroxymethyl)imidazole
  • NSC 39016
  • 1H-Imidazol-4-ylmethanol
  • 1H-Imidazol-5-ylmethanol

Work with 4-Imidazolemethanol

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-(Hydroxymethyl)imidazole hydrochloride32673-41-9Salt

Similar compounds

Imidazolyl-4-ethanol872-82-262 % similar Histamine51-45-650 % similar 1H-Imidazole-5-acetic acid645-65-848 % similar 4(5)-Cyanomethylimidazole18502-05-148 % similar L-Histidinol dihydrochloride1596-64-146 % similar D(+)-Histidinol dihydrochloride75614-84-546 % similar Histamine dihydrochloride56-92-845 % similar Imidazoleacetic acid hydrochloride3251-69-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Amino-5-methylisoxazole1072-67-9 3-Methyl-2-pyrazolin-5-one108-26-9 1,3-Dihydro-4-methyl-2H-imidazol-2-one1192-34-3 5-Amino-3-methylisoxazole14678-02-5 (1H-Pyrazol-3-yl)methanol23585-49-1 1H-Pyrazole-4-methanol25222-43-9 1-Methyl-1H-pyrazol-5-ol33641-15-5 2-Amino-4-methyloxazole35629-70-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook