3,3′-(Phenylimino)bis[propanenitrile]

C₁₂H₁₃N₃CAS 1555-66-4199.26 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₁₂H₁₃N₃
Molar mass: 199.26 g/mol
Exact mass: 199.1109 Da
Density: 0.9214 g/mL (at 20 °C)
Melting point: 80–82 °C
Boiling point: 165–167 °C (at 6 Torr)
logP: 2.32Crippen estimate
Polar surface area: 50.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation95.1% of notifiers
H319 Causes serious eye irritation95.1% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1555-66-4

SMILES

N#CCCN(CCC#N)c1ccccc1

InChIKey

NSVHSAUVIFTVPN-UHFFFAOYSA-N

InChI

InChI=1S/C12H13N3/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,10-11H2

Weigh it out

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

Names and synonyms

11 names

Propanenitrile, 3,3'-(phenylimino)bis-
Propanenitrile, 3,3′-(phenylimino)bis-
Propionitrile, 3,3′-(phenylimino)di-
N,N-Bis(2-cyanoethyl)aniline
N,N-Bis(cyanoethyl)aniline
N,N-Bis(β-cyanoethyl)aniline
Bis(2-cyanoethyl)phenylamine
NSC 108353
3,3′-(Phenylimino)dipropionitrile
3-[(2-Cyanoethyl)(phenyl)amino]propanenitrile
3,3′-(Phenylazanediyl)dipropanenitrile

Work with 3,3′-(Phenylimino)bis[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-[(2-Hydroxyethyl)phenylamino]propanenitrile92-64-878 % similar 3-(Ethylphenylamino)propanenitrile148-87-874 % similar 3-(Butylphenylamino)propanenitrile61852-40-272 % similar N-(2-Cyanoethyl)-N-methylaniline94-34-864 % similar 3-[[2-(Acetyloxy)ethyl]phenylamino]propanenitrile22031-33-058 % similar 1-Phenylpyrrolidine4096-21-358 % similar N-Phenylpiperidine4096-20-256 % similar 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-956 % similar

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

Same formula

2,4-Diaminodiphenylamine136-17-4 Dipicolylamine1539-42-0 3-Cyclopropyl-1-phenyl-1H-pyrazol-5-amine175137-45-8 Pyrimethanil53112-28-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook