2,4′-Dinitrodiphenylamine

C₁₂H₉N₃O₄CAS 612-36-2259.22 g/mol

Open in Covalent MOL file

Nitro Secondary amine

Properties

Molecular formula: C₁₂H₉N₃O₄
Molar mass: 259.22 g/mol
Exact mass: 259.0593 Da
Melting point: 217 °C
logP: 3.25Crippen estimate
Polar surface area: 98.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Identifiers

CAS number

612-36-2

SMILES

O=[N+]([O-])c1ccc(Nc2ccccc2[N+](=O)[O-])cc1

InChIKey

TXJIDOLTOGSNPD-UHFFFAOYSA-N

InChI

InChI=1S/C12H9N3O4/c16-14(17)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15(18)19/h1-8,13H

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 2-nitro-N-(4-nitrophenyl)-
Diphenylamine, 2,4′-dinitro-
2-Nitro-N-(4-nitrophenyl)benzenamine
NSC 229367
2-Nitro-N-(4-nitrophenyl)aniline

Work with 2,4′-Dinitrodiphenylamine

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

2-Nitrodiphenylamine119-75-578 % similar N-(4-Chlorophenyl)-2-nitrobenzenamine23008-56-272 % similar Hc orange 154381-08-772 % similar 4-Nitrodiphenylamine836-30-667 % similar Disperse yellow 1119-15-359 % similar (2-Nitrophenyl)hydrazine3034-19-357 % similar N-Methyl-2-nitrobenzenamine612-28-256 % similar o-Nitrophenylhydrazine hydrochloride6293-87-453 % similar

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

Same formula

2-[(2,4-Dinitrophenyl)methyl]pyridine1151-97-9 Azo violet74-39-5 4-[(4-Nitrophenyl)azo]-1,2-benzenediol843-33-4 2,4-Dinitrodiphenylamine961-68-2

Elsewhere

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