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

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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-Amino-3-chloro-5-methylbenzonitrile158296-69-672 % similar 4-Hydroxy-3,5-dimethylbenzonitrile4198-90-757 % similar 4-Bromo-3,5-dimethyl-benzonitrile75344-77-357 % similar 4-Amino-3-methylbenzonitrile78881-21-757 % similar 3,4-Dimethylbenzonitrile22884-95-354 % similar 3,3′,5,5′-Tetramethylbenzidine54827-17-752 % similar 4-Amino-3,5-dichlorobenzonitrile78473-00-452 % similar 3-Amino-4-methylbenzonitrile60710-80-752 % 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 4-Amino-3-ethylbenzonitrile170230-87-2 2-Ethylbenzimidazole1848-84-6 Dipyrrylmethane21211-65-4 (1H-Indol-4-yl)methanamine3468-18-6 Myosmine532-12-7

Elsewhere

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