Basic information
- CAS
94467-76-2- Standard SMILES
O=[N+]([O-])c1c(NCCO)c([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])c1NCCO- InChIKey
BNULYKZFUFELNU-UHFFFAOYSA-N- Molecular formula
- C12H18N6O9
- Average molar mass
- 390.31 g/mol
- Monoisotopic mass
- 390.11352617
Names & identifiers
- Preferred name
- Ethanol, 2,2',2''-[(2,4,6-trinitro-1,3,5-benzenetriyl)triimino]tris-
- IUPAC
- 2-[3,5-bis(2-hydroxyethylamino)-2,4,6-trinitroanilino]ethanol
Names & synonyms
94467-76-2Ethanol, 2,2',2''-[(2,4,6-trinitro-1,3,5-benzenetriyl)triimino]tris-SCHEMBL9638790DTXSID40389023BNULYKZFUFELNU-UHFFFAOYSA-NSTL335613AKOS000416918SR-01000310564SR-01000310564-11,3,5-tris(2-hydroxyethylamino)-2,4,6-trinitrobenzene2,4,6-trinitro-1,3,5-tris(2-hydroxyethylamino)benzene2,2',2''-((2,4,6-trinitrobenzene-1,3,5-triyl)tris(azanediyl))triethanol
Show more names
2,2',2''-[(2,4,6-trinitrobenzene-1,3,5-triyl)triimino]triethanol2,2',2''-[(2,4,6-Trinitrobenzene-1,3,5-triyl)tris(azanediyl)]tri(ethan-1-ol)
Database identifiers
- CAS
94467-76-2- PubChem CID
- 3089546
- DTXSID
DTXSID40389023
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 418
Related reactions
1 records
Compound notes
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