2-(Methyleneamino)acetonitrile

C₃H₄N₂CAS 109-82-068.08 g/mol

Open in Covalent MOL file

Imine Nitrile

Properties

Molecular formula: C₃H₄N₂
Molar mass: 68.08 g/mol
Exact mass: 68.0374 Da
Melting point: 129 °C
logP: 0.21Crippen estimate
Polar surface area: 36.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed96% of notifiers
H312 Harmful in contact with skin96% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled96% of notifiers
H335 May cause respiratory irritation99% of notifiers

Aggregated from 99 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

109-82-0

SMILES

C=NCC#N

InChIKey

GFZMFCVDDFHSJK-UHFFFAOYSA-N

InChI

InChI=1S/C3H4N2/c1-5-3-2-4/h1,3H2

Weigh it out

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

Names and synonyms

10 names

Acetonitrile, 2-(methyleneamino)-
Acetonitrile, (methyleneamino)-
Glycinonitrile, N-methylene-
N-Methylene-glycinonitrile
MAAN
Methyleneaminoacetonitrile
NSC 128385
NSC 3486
NSC 57883
2-(Methylideneamino)acetonitrile

Reactions

METHYLENEAMINOACETONITRILE (α-Hydroformamine cyanide)product

Work with 2-(Methyleneamino)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

Similar compounds

Fluoroacetonitrile503-20-835 % similar Malononitrile109-77-333 % similar Succinonitrile110-61-233 % similar Cyclopropylacetonitrile6542-60-532 % similar [(Diphenylmethylene)amino]acetonitrile70591-20-731 % similar Allyl cyanide109-75-130 % similar 3-Hydroxypentanedinitrile13880-89-230 % similar Isovaleronitrile625-28-530 % similar

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

Same formula

Pyrazole288-13-1 Imidazole288-32-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook