N-Methylaminoacetonitrile hydrochloride

C₃H₇ClN₂CAS 25808-30-4106.55 g/mol

Open in Covalent MOL file

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

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(Methylamino)acetonitrile5616-32-0Free base

Similar compounds

3-(Methylamino)propanenitrile693-05-046 % similar Iminodiacetonitrile628-87-543 % similar N-Methylethylamine hydrochloride624-60-239 % similar Aminoacetonitrile hydrochloride6011-14-938 % similar Methylthioacetonitrile35120-10-632 % similar 2-(Phenylamino)acetonitrile3009-97-031 % similar Propionitrile107-12-030 % similar 1-Methyl-3-((methylamino)methyl)-1h-pyrazole-5-carbonitrile hydrochloride salt1643141-20-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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