2-(1,5-Dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)butan-1-ol
Basic information
- CAS
268217-03-4- Standard SMILES
CCC(CO)N1CC2([N+](=O)[O-])C=CCC([N+](=O)[O-])(C1)C2- InChIKey
FQRLCQWJNNNAFT-UHFFFAOYSA-N- Molecular formula
- C12H19N3O5
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.13247072
Names & identifiers
- Preferred name
- 2-(1,5-Dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)butan-1-ol
- IUPAC
- 2-(1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)butan-1-ol
Names & synonyms
2-(1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)butan-1-ol268217-03-4beta-Ethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-3-ethanolCBMicro_038293Oprea1_535593DTXSID901192734HTS28477STK760652AKOS001757294AKOS022016907BIM-0038144.P001AG-205/12379040
Show more names
SR-01000223998SR-01000223998-12-{1,5-bisnitro-3-azabicyclo[3.3.1]non-6-en-3-yl}-1-butanolI(2)-Ethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-3-ethanol
Database identifiers
- CAS
268217-03-4- PubChem CID
- 3352285
- DTXSID
DTXSID901192734
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…