Basic information
- CAS
84002-64-2- Standard SMILES
CC(O[N+](=O)[O-])C(CO[N+](=O)[O-])O[N+](=O)[O-]- InChIKey
GIFRMMSPDQZIHL-UHFFFAOYSA-N- Molecular formula
- C4H7N3O9
- Average molar mass
- 241.11 g/mol
- Monoisotopic mass
- 241.01822881
Names & identifiers
- Preferred name
- Butane-1,2,3-triyl trinitrate
- IUPAC
- 1,3-dinitrooxybutan-2-yl nitrate
- English name
- butane-1,2,3-triyl trinitrate
- Molecular formula
- C4H7N3O9
- Molecular weight
- 241.11308
Names & synonyms
Butane-1,2,3-triyl trinitrate84002-64-2EINECS 281-654-61,2,3-Butanetriol trinitrate.alpha.-Methylglycerol trinitratealpha-Methylglycerol trinitrateSCHEMBL11878893GIFRMMSPDQZIHL-UHFFFAOYSA-NDTXSID7010042741,2,3-BUTANETRIOL, TRINITRATEalpha-Methylglycerol trinitrate [Forbidden]NS00060610
Show more names
1,2,3-Butanetriol,trinitrate (9CI)
Database identifiers
- CAS
84002-64-2- PubChem CID
- 55196
- DTXSID
DTXSID701004274- EC Number
- 281-654-6
- Nikkaji
- J70.056H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 383.87 °C · 383.87°C (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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