Azetidine-3-carbonitrile hydrochloride

C₄H₇ClN₂CAS 345954-83-8118.56 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₄H₇ClN₂
Molar mass: 118.56 g/mol
Exact mass: 118.0298 Da
logP: 0.15Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed92.9% of notifiers
H319 Causes serious eye irritation100% of notifiers
H411 Toxic to aquatic life with long lasting effects92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P391, P405, P501

Identifiers

CAS number

345954-83-8

SMILES

C1C(CN1)C#N.Cl

InChIKey

MJZQSPDYIKSJCN-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N2.ClH/c5-1-4-2-6-3-4;/h4,6H,2-3H2;1H

Weigh it out

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

Work with Azetidine-3-carbonitrile 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

4-Piperidinecarbonitrile hydrochloride240401-22-358 % similar 4-Cyanopiperidine4395-98-646 % similar Cyclopropyl cyanide5500-21-043 % similar Cyclopentanecarbonitrile4254-02-839 % similar Cyclobutanecarbonitrile4426-11-339 % similar 3-Azabicyclo[3.1.0]hexane hydrochloride73799-64-139 % similar (2S)-Pyrrolidine-2-carbonitrile hydrochloride65732-69-638 % similar 3-Hydroxyazetidine hydrochloride18621-18-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Aminocyclopropanecarbonitrile hydrochloride127946-77-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook