chempirical

2,4,6-Trinitroaniline

C6H4N4O6CAS 489-98-5228.12 g/mol

Open in Covalent MOL file
NH2N+OO−N+OO−N+OO−
NitroPrimary amine

Properties

Molecular formula
C6H4N4O6
Molar mass
228.12 g/mol
Exact mass
228.0131 Da
Melting point
193.5 °C
logP
0.99Crippen estimate
Polar surface area
155.4 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
3

Identifiers

CAS number
489-98-5
SMILES
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
IAHOUQOWMXVMEH-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N4O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H,7H2

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

Names and synonyms

10 names
  • Benzenamine, 2,4,6-trinitro-
  • Picramide
  • Aniline, 2,4,6-trinitro-
  • 2,4,6-Trinitrobenzenamine
  • MATB (explosive)
  • MATB
  • 1-Amino-2,4,6-trinitrobenzene
  • TNA
  • NSC 4860
  • 2,4,6-Trinitrophenylamine

Work with 2,4,6-Trinitroaniline

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-Bromo-4,6-dinitroaniline1817-73-873 % similar 6-Chloro-2,4-dinitroaniline3531-19-973 % similar 1,3,6,8-Tetranitronaphthalene28995-89-361 % similar 2,6-Dinitroaniline606-22-461 % similar 2,6-Diiodo-4-nitrobenzenamine5398-27-660 % similar 2,6-Dibromo-4-nitroaniline827-94-160 % similar 2,6-Dichloro-4-nitroaniline99-30-960 % similar Tnt118-96-759 % similar

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

Elsewhere

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