3-Methylazetidine-3-carbonitrile hydrochloride

C₅H₉ClN₂CAS 936850-33-8132.59 g/mol

Open in Covalent MOL file

Nitrile Secondary 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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