(Methylamino)acetonitrile

C₃H₆N₂CAS 5616-32-070.09 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₃H₆N₂
Molar mass: 70.09 g/mol
Exact mass: 70.0531 Da
Density: 0.9171 g/mL (at 25 °C)
Boiling point: 95–100 °C (at 0.2 Torr)
logP: -0.27Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

5616-32-0

SMILES

CNCC#N

InChIKey

PVVRRUUMHFWFQV-UHFFFAOYSA-N

InChI

InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3

Weigh it out

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

Names and synonyms

8 names

Acetonitrile, 2-(methylamino)-
Glycinonitrile, N-methyl-
Acetonitrile, (methylamino)-
2-(Methylamino)acetonitrile
Sarcosinonitrile
N-(Methylamino)acetonitrile
Methyl(cyanomethyl)amine
NSC 99320

Work with (Methylamino)acetonitrile

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.

N-Methylaminoacetonitrile hydrochloride25808-30-4Salt

Similar compounds

3-(Methylamino)propanenitrile693-05-052 % similar Iminodiacetonitrile628-87-550 % similar Propionitrile107-12-035 % similar 2-(Phenylamino)acetonitrile3009-97-035 % similar Malononitrile109-77-333 % similar Succinonitrile110-61-233 % similar N,N′-Dimethylethylenediamine110-70-333 % similar N-Methylbenzylamine103-67-332 % similar

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

Same formula

Dimethylcyanamide1467-79-4 Aminopropionitrile151-18-8 2-Diazopropane2684-60-8

Elsewhere

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