2-(1H-azepin-4-yloxy)ethanol
Basic information
- CAS
736880-01-6- Standard SMILES
OCCOC1=CC=CNC=C1- InChIKey
DYIHPSKBVLACPC-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
Names & identifiers
- Preferred name
- 2-(1H-azepin-4-yloxy)ethanol
- IUPAC
- 2-(1H-azepin-4-yloxy)ethanol
- English name
- Ethanol, 2-(1H-azepin-4-yloxy)- (9CI)
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.18
Names & synonyms
736880-01-6DB-275750ETHANOL, 2-(1H-AZEPIN-4-YLOXY)-Ethanol, 2-(1H-azepin-4-yloxy)- (9CI)
Database identifiers
- CAS
736880-01-6
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 344.4 · 344.4±42.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 14.35 · 14.35±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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