Azocine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)octahydro-
Basic information
- CAS
3810-59-1- Standard SMILES
c1ccc2c(c1)OCC(CN1CCCCCCC1)O2- InChIKey
YXJCIUZUGUSPRL-UHFFFAOYSA-N- Molecular formula
- C16H23NO2
- Average molar mass
- 261.36 g/mol
- Monoisotopic mass
- 261.17287898
Names & identifiers
- Preferred name
- Azocine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)octahydro-
- IUPAC
- 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azocane
Names & synonyms
1-(1,4-Benzodioxan-2-ylmethyl)octahydroazocineBRN 16506013810-59-15-20-04-00166 (Beilstein Handbook Reference)Heptamethylenimine, 1-(1,4-benzodioxin-2-ylmethyl)-AZOCINE, OCTAHYDRO-1-(1,4-BENZODIOXAN-2-YLMETHYL)-Azocine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)octahydro-RefChem:320462Heptamethylenimine, 1-(1,4-benzodioxin-2-ylmethyl)-(7CI)Azocine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)octahydro-(9CI)BD 5DTXSID50959054
Show more names
1-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]azocane
Database identifiers
- CAS
3810-59-1- PubChem CID
- 19647
- DTXSID
DTXSID50959054
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…