4-Amino-3,5-dimethylbenzonitrile

C₉H₁₀N₂CAS 74896-24-5146.19 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₉H₁₀N₂
Molar mass: 146.19 g/mol
Exact mass: 146.0844 Da
Melting point: 106–107.5 °C
logP: 1.76Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

74896-24-5

SMILES

Cc1cc(C#N)cc(C)c1N

InChIKey

HRWCKMHTQMYUSL-UHFFFAOYSA-N

InChI

InChI=1S/C9H10N2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4H,11H2,1-2H3

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

Names and synonyms

2 names

Benzonitrile, 4-amino-3,5-dimethyl-
NSC 128902

Work with 4-Amino-3,5-dimethylbenzonitrile

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

4-Hydroxy-3,5-dimethylbenzonitrile4198-90-757 % similar 3,4-Dimethylbenzonitrile22884-95-354 % similar 3,3',5,5'-Tetramethylbenzidine54827-17-752 % similar 4-Amino-3,5-dichlorobenzonitrile78473-00-452 % similar 2,4,6-Trimethylaniline88-05-150 % similar 3,5-Dimethylbenzonitrile22445-42-748 % similar 4-Amino-3,5-dimethylphenol3096-70-648 % similar 4-Iodo-2,6-dimethylbenzenamine4102-53-848 % 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-(Dimethylamino)benzonitrile1197-19-9 2-Ethylbenzimidazole1848-84-6 Dipyrrylmethane21211-65-4 Myosmine532-12-7 5,6-Dimethylbenzimidazole582-60-5 1H-Indole-5-methanamine81881-74-5

Elsewhere

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