3-[Ethyl(3-methylphenyl)amino]propanenitrile

C₁₂H₁₆N₂CAS 148-69-6188.27 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₁₂H₁₆N₂
Molar mass: 188.27 g/mol
Exact mass: 188.1313 Da
logP: 2.73Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowed97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

148-69-6

SMILES

CCN(CCC#N)c1cccc(C)c1

InChIKey

NPCCPMHHNIOSHL-UHFFFAOYSA-N

InChI

InChI=1S/C12H16N2/c1-3-14(9-5-8-13)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,9H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

Propanenitrile, 3-[ethyl(3-methylphenyl)amino]-
Propionitrile, 3-(N-ethyl-m-toluidino)-
N-Ethyl-N-β-cyanoethyl-m-toluidine
N-β-Cyanoethyl-N-ethyl-m-toluidine
N-(2-Cyanoethyl)-N-ethyl-m-toluidine
N-Ethyl-N-cyanoethyl-m-toluidine
N-Cyanoethyl-N-ethyl-m-toluidine
3-(N-Ethyl-m-toluidino)propionitrile
m-Methyl-N-(2-cyanoethyl)-N-ethylaniline
NSC 93794

Work with 3-[Ethyl(3-methylphenyl)amino]propanenitrile

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-(Ethylphenylamino)propanenitrile148-87-874 % similar 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-970 % similar N,N-Diethyl-M-toluidine91-67-868 % similar N-(2-Chloroethyl)-N-ethyl-3-methylbenzenamine22564-43-866 % similar 3-Methyl-N-ethyl-N-(β-hydroxyethyl)aniline91-88-364 % similar N-Ethyl-N-(3-methylphenyl)benzenemethanamine119-94-862 % similar 3,3′-(Phenylimino)bis[propanenitrile]1555-66-454 % similar 3-[Ethyl(4-formyl-3-methylphenyl)amino]propanenitrile119-97-153 % similar

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

Same formula

2-Pentyl-1H-benzimidazole5851-46-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook