2-Cyano-N,N-dimethylacetamide

C5H8N2OCAS 7391-40-4112.13 g/mol

Open in Covalent MOL file
NON
AmideNitrile

Properties

Molecular formula
C5H8N2O
Molar mass
112.13 g/mol
Exact mass
112.0637 Da
logP
-0.01Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7391-40-4
SMILES
CN(C)C(=O)CC#N
InChIKey
MATJPVGBSAQWAC-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2O/c1-7(2)5(8)3-4-6/h3H2,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • N,N-Dimethylcyanoacetamide

Work with 2-Cyano-N,N-dimethylacetamide

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

2-Cyano-N,N-diethylacetamide26391-06-057 % similar β-Oxo-1-pyrrolidinepropanenitrile14227-95-354 % similar β-Oxo-1-piperidinepropanenitrile15029-30-852 % similar 4-(Cyanoacetyl)morpholine15029-32-048 % similar 2-Chloro-N,N-dimethylacetamide2675-89-046 % similar N,N-Dimethylpropionamide758-96-346 % similar 2-Amino-N,N-dimethylacetamide1857-19-844 % similar 2,5-Dioxopyrrolidin-1-yl 2-cyanoacetate56657-76-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1-Methyl-1H-pyrazol-4-yl)methanol112029-98-8 4,5-Dimethyl-3-isoxazolamine13999-39-8 Ethyl N-cyanoacetimidate1558-82-3 Imidazole-1-ethanol1615-14-1 (1-Methyl-1H-imidazol-2-yl)methanol17334-08-6 5-Amino-3,4-dimethylisoxazole19947-75-2 1,3-Dimethyl-5-pyrazolone2749-59-9 4-Hydroxymethyl-5-methyl-1H-imidazole29636-87-1

Elsewhere

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