Basic information
- CAS
634164-52-6- Standard SMILES
c1cnc2c(c1)O[C@@H]1CCCC[C@H]21- InChIKey
RVLQVPBVHIDVQX-DTWKUNHWSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
Names & identifiers
- Preferred name
- (5aR,9aR)-5a,6,7,8,9,9a-hexahydro-[1]benzofuro[3,2-b]pyridine
- IUPAC
- (5aR,9aR)-5a,6,7,8,9,9a-hexahydro-[1]benzofuro[3,2-b]pyridine
- English name
- Benzofuro[3,2-b]pyridine, 5a,6,7,8,9,9a-hexahydro-, (5aR,9aR)-rel- (9CI)
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
Benzofuro[3,2-b]pyridine, 5a,6,7,8,9,9a-hexahydro-, (5aR,9aR)-rel-Benzofuro[3,2-b]pyridine, 5a,6,7,8,9,9a-hexahydro-, (5aR,9aR)-rel- (9CI)
Database identifiers
- CAS
634164-52-6- Nikkaji
- J1.933.905J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 277.4 · 277.4±19.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 5.65 · 5.65±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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