Basic information
- CAS
7511-10-6- Standard SMILES
CC1=NCC2CCCCN12.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
WZNMJMNOFDBTFV-UHFFFAOYSA-N- Molecular formula
- C14H17N5O7
- Average molar mass
- 367.31 g/mol
- Monoisotopic mass
- 367.1127979
Names & identifiers
- Preferred name
- 3-Methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;2,4,6-trinitrophenol
- IUPAC
- 3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine;2,4,6-trinitrophenol
Names & synonyms
7511-10-6NSC405966DTXSID00324177NSC-4059662,4,6-Trinitrophenol--3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine (1/1)
Database identifiers
- CAS
7511-10-6- PubChem CID
- 347332
- DTXSID
DTXSID00324177
Properties
Computed structural properties
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…