2,3,4,5,6,7-Hexahydro-9-methoxy-1H-1,6-benzodiazonine
Basic information
- CAS
154559-12-3- Standard SMILES
COc1ccc2c(c1)CNCCCCN2- InChIKey
BNUDIZBDCSCMAX-UHFFFAOYSA-N- Molecular formula
- C12H18N2O
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.1419132
Names & identifiers
- Preferred name
- 2,3,4,5,6,7-Hexahydro-9-methoxy-1H-1,6-benzodiazonine
- IUPAC
- 9-methoxy-2,3,4,5,6,7-hexahydro-1H-1,6-benzodiazonine
Names & synonyms
2,3,4,5,6,7-Hexahydro-9-methoxy-1H-1,6-benzodiazonine154559-12-3RefChem:243813DTXSID0012160809-methoxy-2,3,4,5,6,7-hexahydro-1H-1,6-benzodiazonine
Database identifiers
- CAS
154559-12-3- PubChem CID
- 11805877
- DTXSID
DTXSID001216080
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 33.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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