3-Methylazetidine-3-carbonitrile hydrochloride

C5H9ClN2CAS 936850-33-8132.59 g/mol

Open in Covalent MOL file
NHNHCl
NitrileSecondary amine

Properties

Molecular formula
C5H9ClN2
Molar mass
132.59 g/mol
Exact mass
132.0454 Da
logP
0.54Crippen estimate
Polar surface area
35.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
936850-33-8
SMILES
CC1(CNC1)C#N.Cl
InChIKey
DCXJKYVRMRUVTJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2.ClH/c1-5(2-6)3-7-4-5;/h7H,3-4H2,1H3;1H

Weigh it out

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

Names and synonyms

1 names
  • 3-Methyl-3-azetidinecarbonitrile hydrochloride

Work with 3-Methylazetidine-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

1-Aminocyclopropanecarbonitrile hydrochloride127946-77-434 % similar 3,3-Difluoroazetidine hydrochloride288315-03-733 % similar 4-Cyano-4-phenylpiperidine hydrochloride51304-58-632 % similar Pivalonitrile630-18-232 % similar N-Methylaminoacetonitrile hydrochloride25808-30-430 % similar Azetidine-3-carbonitrile hydrochloride345954-83-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2S)-Pyrrolidine-2-carbonitrile hydrochloride65732-69-6 1,3-Dimethylimidazolium chloride79917-88-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook