Basic information
- CAS
113558-38-6- Standard SMILES
C=C=C1CCCCN(C(C)C)C1- InChIKey
IFGOIBLCGLFIQP-UHFFFAOYSA-N- Molecular formula
- C11H19N
- Average molar mass
- 165.27 g/mol
Names & identifiers
- Preferred name
- 3-Ethenylidene-1-propan-2-ylazepane
- IUPAC
- 3-ethenylidene-1-propan-2-ylazepane
- English name
- 1H-Azepine,3-ethenylidenehexahydro-1-(1-methylethyl)-(9CI)
- Molecular formula
- C11H19N
- Molecular weight
- 165.28
Names & synonyms
3-Ethenylidene-1-propan-2-ylazepane113558-38-61H-Azepine,3-ethenylidenehexahydro-1-(1-methylethyl)-(9CI)1H-Azepine, 3-ethenylidenehexahydro-1-(1-methylethyl)-
Database identifiers
- CAS
113558-38-6
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 228 · 228.0±20.0 °C(Predicted)
- Density
- 0.85 · 0.85±0.1 g/cm3(Predicted)
- pka
- 9.61 · 9.61±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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