1-Aminocyclopropanecarbonitrile hydrochloride

C₄H₇ClN₂CAS 127946-77-4118.56 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₄H₇ClN₂
Molar mass: 118.56 g/mol
Exact mass: 118.0298 Da
Melting point: 170–172 °C
logP: 0.42Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H228 Flammable solid39.3% of notifiers
H301 Toxic if swallowed49.4% of notifiers
H302 Harmful if swallowed47.2% of notifiers
H317 May cause an allergic skin reaction88.8% of notifiers
H318 Causes serious eye damage39.3% of notifiers
H319 Causes serious eye irritation57.3% of notifiers

Aggregated from 89 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, P370+P378, P405, P501

Identifiers

CAS number

127946-77-4

SMILES

Cl.N#CC1(N)CC1

InChIKey

PCEIEQLJYDMRFZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N2.ClH/c5-3-4(6)1-2-4;/h1-2,6H2;1H

Weigh it out

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

Names and synonyms

9 names

Cyclopropanecarbonitrile, 1-amino-, hydrochloride (1:1)
Cyclopropanecarbonitrile, 1-amino-, monohydrochloride
1-Cyanocyclopropanamine hydrochloride
1-Cyanocyclopropanaminium chloride
1-Amino-1-cyclopropanecarbonitrile hydrochloride
1-Cyanocyclopropylamine hydrochloride
1-Aminocyclopropanecarbonitrile monohydrochloride
1-Amino-1-cyanocyclopropane hydrochloride
1-Aminocyclopropanecarbonitrile hydrochloride (1:1)

Work with 1-Aminocyclopropanecarbonitrile 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

2-Amino-2-methylpropanenitrile19355-69-238 % similar 3-Methylazetidine-3-carbonitrile hydrochloride936850-33-834 % similar Aminoacetonitrile hydrochloride6011-14-932 % similar 1-Methylcyclopropylamine hydrochloride88887-87-032 % similar 4-Cyano-4-phenylpiperidine hydrochloride51304-58-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Azetidine-3-carbonitrile hydrochloride345954-83-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook