(E)-N-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)methanimine
Basic information
- CAS
16987-38-5- Standard SMILES
C(=N\N1CCCCCC1)/c1ccc2c(c1)OCO2- InChIKey
GGASDOOVSNFRKJ-XNTDXEJSSA-N- Molecular formula
- C14H18N2O2
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.13682782
Names & identifiers
- Preferred name
- (E)-N-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)methanimine
- IUPAC
- (E)-N-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)methanimine
Names & synonyms
MLS002694456NSC8199716987-38-5NSC-81997
Database identifiers
- CAS
16987-38-5- PubChem CID
- 9568262
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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