3-(Ethylphenylamino)propanenitrile

C₁₁H₁₄N₂CAS 148-87-8174.25 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₁₁H₁₄N₂
Molar mass: 174.25 g/mol
Exact mass: 174.1157 Da
Density: 1.026 g/mL (at 20 °C)
Boiling point: 175–177 °C (at 17 Torr)
logP: 2.43Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H312 Harmful in contact with skin97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

148-87-8

SMILES

CCN(CCC#N)c1ccccc1

InChIKey

WYRNRZQRKCXPLA-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3

Weigh it out

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

Names and synonyms

11 names

Propanenitrile, 3-(ethylphenylamino)-
Propionitrile, 3-(N-ethylanilino)-
3-(N-Ethylanilino)propionitrile
N-Ethyl-N-(β-cyanoethyl)aniline
N-β-Cyanoethyl-N-ethylaniline
N-Ethyl-N-(2-cyanoethyl)aniline
N-β-Cyanoethyl-N-ethylaminobenzene
N-(2-Cyanoethyl)-N-ethylaniline
3-(Ethylphenylamino)propionitrile
NSC 81243
3-[Ethyl(phenyl)amino]propanenitrile

Work with 3-(Ethylphenylamino)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

3,3′-(Phenylimino)bis[propanenitrile]1555-66-474 % similar 3-(Ethyl(3-methylphenyl)amino)propanenitrile148-69-674 % similar 3-(Butylphenylamino)propanenitrile61852-40-267 % similar Diethylaniline91-66-763 % similar N-Ethyl-N-(2-chloroethyl)aniline92-49-961 % similar 3-[(2-Hydroxyethyl)phenylamino]propanenitrile92-64-861 % similar 2-(Ethylphenylamino)ethanol92-50-259 % similar N-(2-Cyanoethyl)-N-methylaniline94-34-859 % similar

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

Same formula

5-Methyltryptamine1821-47-2 2-Methyltryptamine2731-06-8 (+-)-Alpha-Methyltryptamine299-26-3 Methyltryptamine61-49-4 Gramine87-52-5

Elsewhere

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