N-(2-Cyanoethyl)-N-methylaniline

C₁₀H₁₂N₂CAS 94-34-8160.22 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₁₀H₁₂N₂
Molar mass: 160.22 g/mol
Exact mass: 160.1000 Da
Boiling point: 186 °C (at 23 Torr)
logP: 2.04Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302+H312 Harmful if swallowed or in contact with skin88.1% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin92.4% of notifiers

Aggregated from 118 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

94-34-8

SMILES

CN(CCC#N)c1ccccc1

InChIKey

IXXLKTZOCSRXEM-UHFFFAOYSA-N

InChI

InChI=1S/C10H12N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,9H2,1H3

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Names and synonyms

8 names

Propanenitrile, 3-(methylphenylamino)-
Propionitrile, 3-(N-methylanilino)-
3-(Methylphenylamino)propanenitrile
N-β-Cyanoethyl-N-methylaniline
β-(N-Methylanilino)propionitrile
N-Methyl-N-(2-cyanoethyl)aniline
NSC 73689
NSC 91616

Work with N-(2-Cyanoethyl)-N-methylaniline

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

3,3′-(Phenylimino)bis[propanenitrile]1555-66-464 % similar 3-[(4-Formylphenyl)methylamino]propanenitrile94-21-363 % similar 3-(Ethylphenylamino)propanenitrile148-87-859 % similar 2-(Methylphenylamino)ethanol93-90-355 % similar 3-(Butylphenylamino)propanenitrile61852-40-254 % similar 3-[(2-Hydroxyethyl)phenylamino]propanenitrile92-64-853 % similar N-(3-Aminopropyl)-N-methylaniline53485-07-752 % similar N-Benzyl-N-methylaniline614-30-250 % similar

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

Same formula

2-(4-Aminophenyl)-2-methylpropanenitrile115279-57-7 (R,S)-Anatabine2743-90-0 3-[(3-Methylphenyl)amino]propanenitrile27618-25-3 2,5,6-Trimethylbenzimidazole3363-56-2 2-Propyl-1H-benzimidazole5465-29-2 1-Ethyl-2-methyl-1H-benzimidazole5805-76-5 2-Isopropylbenzimidazole5851-43-4 Tolazoline59-98-3

Elsewhere

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