4(5)-Cyanomethylimidazole
Properties
- Molecular formula
- C5H5N3
- Molar mass
- 107.12 g/mol
- Exact mass
- 107.0483 Da
- logP
- 0.48Crippen estimate
- Polar surface area
- 52.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled14.3% of notifiers
- H301 Toxic if swallowed85.7% of notifiers
- H311 Toxic in contact with skin28.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled28.6% of notifiers
- H335 May cause respiratory irritation85.7% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
18502-05-1SMILES
C1=C(NC=N1)CC#NInChIKey
DQZBHUXBFNBJLX-UHFFFAOYSA-NInChI
InChI=1S/C5H5N3/c6-2-1-5-3-7-4-8-5/h3-4H,1H2,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-(1H-Imidazol-5-yl)acetonitrile
Work with 4(5)-Cyanomethylimidazole
Similar compounds
4-Imidazolemethanol822-55-948 % similar
Histamine51-45-645 % similar
Imidazolyl-4-ethanol872-82-245 % similar
4-(Hydroxymethyl)imidazole hydrochloride32673-41-944 % similar
Histamine dihydrochloride56-92-841 % similar
1H-Imidazole-5-acetic acid645-65-840 % similar
Pyridin-4-yl-acetonitrile13121-99-839 % similar
3-Pyridineacetonitrile6443-85-238 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.