N-Benzylideneaniline

C₁₃H₁₁NCAS 538-51-2181.24 g/mol

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Properties

Molecular formula: C₁₃H₁₁N
Molar mass: 181.24 g/mol
Exact mass: 181.0891 Da
Melting point: 54 °C
Boiling point: 310 °C
logP: 3.44Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 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

538-51-2

SMILES

C(=Nc1ccccc1)c1ccccc1

InChIKey

UVEWQKMPXAHFST-UHFFFAOYSA-N

InChI

InChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H

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Names and synonyms

20 names · show all

Benzenamine, N-(phenylmethylene)-
Aniline, N-benzylidene-
N-(Phenylmethylene)benzenamine
Benzaldehyde anil
N-Benzalaniline
M4 (Amine)
N-Phenylbenzenemethanimine
N-Phenylbenzylideneimine
M4
Benzaldehyde N-phenylimine
N-Phenylbenzaldimine
Phenyl(benzylidene)amine
Benzylideneaniline
(Benzylidene)phenylamine
N-(Phenylmethylidene)benzenamine
NSC 736
Diphenylimine
N-Benzylidenebenzenamine
N-Phenylbenzylimine
N-Benzylidenenaniline

Reactions

BENZALANILINE (Aniline, N-benzylidene-)product

Work with N-Benzylideneaniline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(4-Methoxybenzylidene)aniline836-41-961 % similar Benzalazine588-68-157 % similar Formanilide103-70-850 % similar N-(Phenylmethylene)methanamine622-29-750 % similar Benzaldehyde oxime932-90-150 % similar Diphenylhydrazone588-64-744 % similar N,N′-Diphenylmethanimidamide622-15-144 % similar Styrene100-42-543 % similar

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

Same formula

Benzophenone imine1013-88-3 4-Styrylpyridine103-31-1 N-Methylcarbazole1484-12-4 2-Aminofluorene153-78-6 Fluoren-9-amine525-03-1

Elsewhere

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