chempirical

2-Amino-4,6-dinitrotoluene

C7H7N3O4CAS 35572-78-2197.15 g/mol

Open in Covalent MOL file
H2NN+OO−N+OO−
NitroPrimary amine

Properties

Molecular formula
C7H7N3O4
Molar mass
197.15 g/mol
Exact mass
197.0437 Da
Melting point
135 °C
logP
1.39Crippen estimate
Polar surface area
112.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
35572-78-2
SMILES
Cc1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
IEEJAAUSLQCGJH-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 2-methyl-3,5-dinitro-
  • o-Toluidine, 3,5-dinitro-
  • 2-Methyl-3,5-dinitrobenzenamine
  • 2-Methyl-3,5-dinitroaniline
  • 2,4-Dinitro-6-aminotoluene
  • 3,5-Dinitro-o-toluidine
  • 1-Amino-2-methyl-3,5-dinitrobenzene
  • 2-ADNT
  • 2-Methyl-3,5-dinitro-phenylamine

Work with 2-Amino-4,6-dinitrotoluene

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

Tnt118-96-773 % similar Picramic acid96-91-361 % similar 2-Methyl-3-nitroaniline603-83-860 % similar Sodium picramate831-52-758 % similar 2,4,6-Trinitroaniline489-98-558 % similar 2-Methyl-5-nitroaniline99-55-854 % similar Dinitolmide148-01-654 % similar 2-Methyl-3,5-dinitrobenzoic acid28169-46-254 % similar

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

Same formula

4-Amino-2,6-dinitrotoluene19406-51-0 Methyl 4-amino-5-nitro-2-pyridinecarboxylate850544-21-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook