Aminoacetonitrile

C₂H₄N₂CAS 540-61-456.07 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₂H₄N₂
Molar mass: 56.07 g/mol
Exact mass: 56.0374 Da
Melting point: 101 °C
Boiling point: 65 °C (at 8 Torr)
logP: -0.53Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin97.5% of notifiers
H332 Harmful if inhaled97.5% of notifiers
H351 Suspected of causing cancer97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

540-61-4

SMILES

N#CCN

InChIKey

DFNYGALUNNFWKJ-UHFFFAOYSA-N

InChI

InChI=1S/C2H4N2/c3-1-2-4/h1,3H2

Weigh it out

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

Names and synonyms

9 names

Acetonitrile, amino-
AAN
Cyanomethylamine
Glycinonitrile
Glycinenitrile
α-Aminoacetonitrile
2-Aminoacetonitrile
1-Cyanomethylamine
Cyanoaminomethane

Work with Aminoacetonitrile

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.

Aminoacetonitrile hydrochloride6011-14-9Salt Aminoacetonitrile bisulfate151-63-3Salt Glycinonitrile sulfate (2:1)5466-22-8Salt

Similar compounds

Aminopropionitrile151-18-844 % similar Malononitrile109-77-340 % similar Succinonitrile110-61-240 % similar Adiponitrile111-69-335 % similar Glutaronitrile544-13-835 % similar Propionitrile107-12-033 % similar Chloroacetonitrile107-14-233 % similar Glycolonitrile107-16-433 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia