chempirical

N-Methylaminoacetonitrile hydrochloride

C3H7ClN2CAS 25808-30-4106.55 g/mol

Open in Covalent MOL file
NHNHCl
NitrileSecondary amine

Properties

Molecular formula
C3H7ClN2
Molar mass
106.55 g/mol
Exact mass
106.0298 Da
Melting point
104 °C
logP
0.15Crippen estimate
Polar surface area
35.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
25808-30-4
SMILES
CNCC#N.Cl
InChIKey
DFKBQHBEROHUNF-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N2.ClH/c1-5-3-2-4;/h5H,3H2,1H3;1H

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Names and synonyms

5 names
  • Acetonitrile, 2-(methylamino)-, hydrochloride (1:1)
  • Acetonitrile, (methylamino)-, monohydrochloride
  • (Methylamino)acetonitrile hydrochloride
  • (Methylamino)acetonitrile monohydrochloride
  • 2-(Methylamino)acetonitrile hydrochloride

Work with N-Methylaminoacetonitrile 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

(Methylamino)acetonitrile5616-32-083 % similar 3-(Methylamino)propanenitrile693-05-046 % similar Iminodiacetonitrile628-87-543 % similar N-Methylethylamine hydrochloride624-60-239 % similar Aminoacetonitrile hydrochloride6011-14-938 % similar 2-(Methylthio)acetonitrile35120-10-632 % similar 2-(Phenylamino)acetonitrile3009-97-031 % similar Propionitrile107-12-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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