1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-
Basic information
- CAS
3653-40-5- Standard SMILES
c1ccc2c(c1)OCC(CN1CCCCCC1)O2- InChIKey
CFWIHUFVMSAPNI-UHFFFAOYSA-N- Molecular formula
- C15H21NO2
- Average molar mass
- 247.33 g/mol
- Monoisotopic mass
- 247.15722891
Names & identifiers
- Preferred name
- 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-
- IUPAC
- 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepane
Names & synonyms
BRN 16487693653-40-52-(1,4-Benzodioxan-2-ylmethyl)hexahydro-1H-azepineHexamethylenimine, 1-(1,4-benzodioxin-2-ylmethyl)-5-20-04-00056 (Beilstein Handbook Reference)1H-AZEPINE, HEXAHYDRO-1-(1,4-BENZODIOXAN-2-YLMETHYL)-1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-RefChem:2373431H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-(9CI)Oprea1_266008DTXSID109578341-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]azepane
Database identifiers
- CAS
3653-40-5- PubChem CID
- 19291
- DTXSID
DTXSID10957834
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 251
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Compound notes
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