Basic information
- Standard SMILES
O=C(NCc1ccccc1)C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]- InChIKey
BZXGAYPIKOVVIQ-UHFFFAOYSA-N- Molecular formula
- C12H14N4O10
- Average molar mass
- 374.26 g/mol
Names & identifiers
- Preferred name
- 3-nitryloxy-2,2-bis(nitryloxymethyl)propionic acid N-benzylamide
- IUPAC
- [3-(benzylamino)-2,2-bis(nitrooxymethyl)-3-oxopropyl] nitrate
Names & synonyms
SCHEMBL7661332BZXGAYPIKOVVIQ-UHFFFAOYSA-N3-nitryloxy-2,2-bis(nitryloxymethyl)propionic acid N-benzylamide
Database identifiers
- PubChem CID
- 15380873
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 460
Related reactions
3 records
Compound notes
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