Molecular Identity
2,4,6-Trinitroaniline
2,4,6-trinitroaniline
PubChem CID: 10271
2D Structure
Properties
C6H4N4O6
Molecular Formula
228.12
Molecular Weight
g/mol
228.0131
Exact Mass
Da
0.6
XLogP
Drug-like (Lipinski: < 5)
163
TPSA
May have limited oral absorption
1
H-Bond Donors
7
H-Bond Acceptors
292
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-]Isomeric SMILES
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-]Synonyms(20)
2,4,6-TRINITROANILINEPicramide2,4,6-Trinitrobenzenamine1-Amino-2,4,6-trinitrobenzeneNSC 4860EINECS 207-703-3UN0153AI3-28913Benzenamine, 1,4,6-trinitro-DTXSID9074850RefChem:82162MATB (EXPLOSIVE)Aniline, 2,4,6trinitroBenzenamine, 1,4,6trinitroBenzenamine, 2,4,6trinitro
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 2,4,6-Trinitroaniline
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