4-(Dimethylamino)benzonitrile

C₉H₁₀N₂CAS 1197-19-9146.19 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₉H₁₀N₂
Molar mass: 146.19 g/mol
Exact mass: 146.0844 Da
Density: 1.14 g/mL
Melting point: 74 °C
Boiling point: 318 °C
logP: 1.62Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.7% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1197-19-9

SMILES

CN(C)c1ccc(C#N)cc1

InChIKey

JYMNQRQQBJIMCV-UHFFFAOYSA-N

InChI

InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all

Benzonitrile, 4-(dimethylamino)-
Benzonitrile, p-(dimethylamino)-
4-(Dimethylamino)benzenecarbonitrile
N,N-Dimethyl-p-cyanoaniline
p-Cyano-N,N-dimethylaniline
p-(Dimethylamino)benzonitrile
1-(Dimethylamino)-4-cyanobenzene
N,N-Dimethyl-4-cyanoaniline
4-Cyano-N,N-dimethylaniline
DMABN
1-Cyano-4-(dimethylamino)benzene
4-(Dimethylamino)benzenenitrile
NSC 409122
4-Dimethylaminophenylnitrile

Work with 4-(Dimethylamino)benzonitrile

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

Wurster's blue100-22-157 % similar 1,4-Dicyanobenzene623-26-757 % similar 4-Ethynyl-N,N-dimethylaniline17573-94-356 % similar 4-Methylbenzonitrile104-85-850 % similar Dimethylaniline121-69-750 % similar (1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-650 % similar N,N,N',N'-Tetramethylbenzidine366-29-050 % similar 4-Chlorobenzonitrile623-03-050 % similar

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

Same formula

1-Methyl-1H-indol-5-amine102308-97-4 3-(Phenylamino)propanenitrile1075-76-9 4-Amino-3-ethylbenzonitrile170230-87-2 2-Ethylbenzimidazole1848-84-6 Dipyrrylmethane21211-65-4 (1H-Indol-4-yl)methanamine3468-18-6 Myosmine532-12-7 5,6-Dimethylbenzimidazole582-60-5

Elsewhere

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