4-Nitrotriphenylamine

C18H14N2O2CAS 4316-57-8290.32 g/mol

Open in Covalent MOL file
NN+OO−
NitroTertiary amine

Properties

Molecular formula
C18H14N2O2
Molar mass
290.32 g/mol
Exact mass
290.1055 Da
logP
5.06Crippen estimate
Polar surface area
46.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
4316-57-8
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChIKey
UQOKZDUUBVGFAK-UHFFFAOYSA-N
InChI
InChI=1S/C18H14N2O2/c21-20(22)18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H

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Names and synonyms

1 names
  • 4-Nitrophenyl diphenylamine

Work with 4-Nitrotriphenylamine

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

4-Nitro-N,N-bis(4-nitrophenyl)benzenamine20440-93-184 % similar Nitrobenzene98-95-365 % similar 4-Nitro-1,1'-biphenyl92-93-362 % similar 1,4-Dinitrobenzene100-25-460 % similar N,N-Dimethyl-4-nitroaniline100-23-258 % similar 1-Nitro-4-phenoxybenzene620-88-256 % similar 4-Nitrodiphenylamine836-30-656 % similar 4-Nitrophenyl phenyl sulfide952-97-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fluorescent brightener 1351041-00-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook