5,6,6a,7,8,9,10,11-Octahydroazepino[1,2-a]quinoxaline
Basic information
- CAS
338949-37-4- Standard SMILES
c1ccc2c(c1)NCC1CCCCCN21- InChIKey
DXVOPCXXRNAZOS-UHFFFAOYSA-N- Molecular formula
- C13H18N2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.14699858
Names & identifiers
- Preferred name
- 5,6,6a,7,8,9,10,11-Octahydroazepino[1,2-a]quinoxaline
- IUPAC
- 5,6,6a,7,8,9,10,11-octahydroazepino[1,2-a]quinoxaline
Names & synonyms
5,6,6a,7,8,9,10,11-octahydroazepino[1,2-a]quinoxalineSCHEMBL15523034DXVOPCXXRNAZOS-UHFFFAOYSA-NDTXSID601215442AKOS018758978338949-37-4
Database identifiers
- CAS
338949-37-4- PubChem CID
- 10488339
- DTXSID
DTXSID601215442- Nikkaji
- J1.499.500E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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