[(Diphenylmethylene)amino]acetonitrile

C₁₅H₁₂N₂CAS 70591-20-7220.28 g/mol

Open in Covalent MOL file

Imine Nitrile

Properties

Molecular formula: C₁₅H₁₂N₂
Molar mass: 220.28 g/mol
Exact mass: 220.1000 Da
Melting point: 83–84 °C
logP: 3.05Crippen estimate
Polar surface area: 36.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, 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

70591-20-7

SMILES

N#CCN=C(c1ccccc1)c1ccccc1

InChIKey

VRLJFRODHVSTIK-UHFFFAOYSA-N

InChI

InChI=1S/C15H12N2/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2

Weigh it out

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

Names and synonyms

8 names

Acetonitrile, 2-[(diphenylmethylene)amino]-
Acetonitrile, [(diphenylmethylene)amino]-
2-[(Diphenylmethylene)amino]acetonitrile
Diphenylmethyleniminoacetonitrile
[(Diphenylmethylene)amino]methyl cyanide
(Benzhydrylideneamino)acetonitrile
2-(Benzhydrylideneamino)acetonitrile
2-[(Diphenylmethylidene)amino]acetonitrile

Work with [(Diphenylmethylene)amino]acetonitrile

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

Benzoylacetonitrile614-16-444 % similar Benzhydrylidene methylamine13280-16-541 % similar Benzophenone hydrazone5350-57-241 % similar Diphenyl ketoxime574-66-341 % similar Methyl N-(diphenylmethylidene)glycinate81167-39-741 % similar 1-Phenyl-3,4-dihydroisoquinoline52250-50-740 % similar N-(Hydroxymethyl)benzamide6282-02-639 % similar β-Phenylbenzenepropanenitrile2286-54-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Diphenylimidazole668-94-0 2,4-Diphenylimidazole670-83-7

Elsewhere

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