2-(Chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride

C₄H₈Cl₂N₂CAS 13338-49-3155.02 g/mol

Open in Covalent MOL file

Alkyl halide Amidine

Properties

Molecular formula: C₄H₈Cl₂N₂
Molar mass: 155.02 g/mol
Exact mass: 154.0065 Da
logP: 0.65Crippen estimate
Polar surface area: 24.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin60% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled60% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13338-49-3

SMILES

C1CN=C(N1)CCl.Cl

InChIKey

GHCCHMFFNHOXEU-UHFFFAOYSA-N

InChI

InChI=1S/C4H7ClN2.ClH/c5-3-4-6-1-2-7-4;/h1-3H2,(H,6,7);1H

Weigh it out

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

Work with 2-(Chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride

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

Similar compounds

Tolazoline hydrochloride59-97-247 % similar Antazoline hydrochloride2508-72-741 % similar Naphazoline hydrochloride550-99-240 % similar 2,2′-Azobis[2-(2-imidazolin-2-yl)propane] dihydrochloride27776-21-238 % similar Tolazoline59-98-338 % similar Xylometazoline hydrochloride1218-35-537 % similar Clonidine hydrochloride4205-91-836 % similar 2-Imidazolidinone120-93-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook