4-Benzeneazodiphenylamine

C₁₈H₁₅N₃CAS 101-75-7273.34 g/mol

Open in Covalent MOL file

Azo Secondary amine

Properties

Molecular formula: C₁₈H₁₅N₃
Molar mass: 273.34 g/mol
Exact mass: 273.1266 Da
Melting point: 80–81 °C
logP: 5.85Crippen estimate
Polar surface area: 36.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed11.8% of notifiers
H315 Causes skin irritation90.2% of notifiers
H319 Causes serious eye irritation90.2% of notifiers
H335 May cause respiratory irritation88.2% of notifiers

Aggregated from 51 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

101-75-7

SMILES

c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1

InChIKey

VXLFYNFOITWQPM-UHFFFAOYSA-N

InChI

InChI=1S/C18H15N3/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17/h1-14,19H

Weigh it out

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Names and synonyms

12 names

4-(Phenylazo)diphenylamine
Benzenamine, N-phenyl-4-(2-phenyldiazenyl)-
Diphenylamine, 4-(phenylazo)-
Benzenamine, N-phenyl-4-(phenylazo)-
N-Phenyl-4-(2-phenyldiazenyl)benzenamine
N-Phenyl-4-aminoazobenzene
4-Anilinoazobenzene
4-(Phenylamino)azobenzene
4-Phenazodiphenylamine
NSC 74774
N-Phenyl-4-(phenylazo)benzenamine
N-Phenyl-4-(phenylazo)aniline

Work with 4-Benzeneazodiphenylamine

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

N,N′-Diphenyl-p-phenylenediamine74-31-765 % similar 4-Nitrosodiphenylamine156-10-562 % similar Acid orange 5554-73-461 % similar Azobenzene103-33-360 % similar Diphenylamine122-39-460 % similar N,N′-Diphenylbenzidine531-91-957 % similar N-Phenyl-4-biphenylamine32228-99-254 % similar N-Phenyl-[1,1':4',1''-terphenyl]-4-amine897671-81-754 % similar

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

Elsewhere

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