Basic information
- CAS
28312-79-0- Standard SMILES
OCCCN1Cc2ccccc2CCc2ccccc2C1- InChIKey
RYPXFQIRSXWPKS-UHFFFAOYSA-N- Molecular formula
- C19H23NO
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.17796436
Names & identifiers
- Preferred name
- 6H-Dibenz(c,g)azonine-6-propanol, 5,7,12,13-tetrahydro-
- IUPAC
- 3-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)propan-1-ol
- English name
- 5,7,12,13-Tetrahydro-6H-dibenz[c,g]azonine-6-propan-1-ol
- Molecular formula
- C19H23NO
- Molecular weight
- 281.39
Names & synonyms
BRN 16560296H-DIBENZ(c,g)AZONINE-6-PROPANOL, 5,7,12,13-TETRAHYDRO-28312-79-05,7,12,13-Tetrahydro-6H-dibenz(c,g)azonine-6-propanolDTXSID20182559RefChem:309594DTXCID101050503-(5,7,12,13-Tetrahydro-6H-dibenzo[c,g]azonin-6-yl)propan-1-ol6H-Dibenz[c,g]azonine-6-propanol, 5,7,12,13-tetrahydro-5,7,12,13-Tetrahydro-6H-dibenz[c,g]azonine-6-propan-1-ol
Database identifiers
- CAS
28312-79-0- PubChem CID
- 34207
- DTXSID
DTXSID20182559- Nikkaji
- J72.781D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 433.1 · 433.1±33.0 °C(Predicted)
- Density
- 1.074 · 1.074±0.06 g/cm3(Predicted)
- pka
- 14.98 · 14.98±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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