Dimethylaminoacetonitrile

C₄H₈N₂CAS 926-64-784.12 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₄H₈N₂
Molar mass: 84.12 g/mol
Exact mass: 84.0687 Da
Melting point: 135–138 °C
Boiling point: 137.5 °C
pKa: 4.2
logP: 0.07Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor98% of notifiers
H300 Fatal if swallowed99% of notifiers
H310 Fatal in contact with skin99% of notifiers
H315 Causes skin irritation57% of notifiers
H318 Causes serious eye damage55% of notifiers
H319 Causes serious eye irritation44% of notifiers
H330 Fatal if inhaled56% of notifiers

Aggregated from 100 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

926-64-7

SMILES

CN(C)CC#N

InChIKey

PLXBWEPPAAQASG-UHFFFAOYSA-N

InChI

InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3

Weigh it out

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

Names and synonyms

8 names

(Dimethylamino)acetonitrile
Acetonitrile, 2-(dimethylamino)-
Acetonitrile, (dimethylamino)-
Glycinonitrile, N,N-dimethyl-
2-(Dimethylamino)acetonitrile
Dimethylcyanomethylamine
N-(Cyanomethyl)dimethylamine
NSC 148364

Work with Dimethylaminoacetonitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethylaminopropionitrile1738-25-652 % similar 2-(Diethylamino)acetonitrile3010-02-445 % similar N,N-Dimethylpropargylamine7223-38-343 % similar Pyrrolidine-1-acetonitrile29134-29-041 % similar 1-Piperidineacetonitrile3010-03-539 % similar 2,2'-(Nitrosoimino)bis(acetonitrile)16339-18-738 % similar Propionitrile107-12-035 % similar Malononitrile109-77-333 % similar

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

Same formula

2-Amino-2-methylpropanenitrile19355-69-2 Lysidine (chemical)534-26-9 3-(Methylamino)propanenitrile693-05-0

Elsewhere

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