[(Dimethylamino)methylene]propanedinitrile

C₆H₇N₃CAS 16849-88-0121.14 g/mol

Open in Covalent MOL file

Alkene Nitrile Tertiary amine

Properties

Molecular formula: C₆H₇N₃
Molar mass: 121.14 g/mol
Exact mass: 121.0640 Da
Melting point: 82–83 °C
Boiling point: 155–160 °C (at 0.3 Torr)
logP: 0.48Crippen estimate
Polar surface area: 50.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

16849-88-0

SMILES

CN(C)C=C(C#N)C#N

InChIKey

LBUDLOYYNHQKQI-UHFFFAOYSA-N

InChI

InChI=1S/C6H7N3/c1-9(2)5-6(3-7)4-8/h5H,1-2H3

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Names and synonyms

9 names

Propanedinitrile, 2-[(dimethylamino)methylene]-
Malononitrile, [(dimethylamino)methylene]-
Propanedinitrile, [(dimethylamino)methylene]-
2-[(Dimethylamino)methylene]propanedinitrile
[(Dimethylamino)methylene]malononitrile
NSC 168421
2-[(Dimethylamino)methylidene]propanedinitrile
2-(Dimethylaminomethylidene)propanedinitrile
((Dimethylamino)methylene)propanedinitrile

Work with [(Dimethylamino)methylene]propanedinitrile

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

Tetracyanoethylene670-54-235 % similar 2-(Ethoxymethylene)propanedinitrile123-06-834 % similar Isopropylidenemalononitrile13166-10-433 % similar Tetracyanoquinodimethane1518-16-733 % similar 2-(2,4-Difluorobenzoyl)-3-(dimethylamino)acrylonitrile138716-60-632 % similar Benzylidenemalononitrile2700-22-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Pyridinecarboxamidine23255-20-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook