2-Methoxy-5,8,11-trimethyl-6,12-dihydrobenzo[c][1,5]benzodiazocine
Basic information
- CAS
85021-22-3- Standard SMILES
COc1ccc2c(c1)CN(C)c1ccc(C)cc1CN2C- InChIKey
WAXKTXIWDWEWBK-UHFFFAOYSA-N- Molecular formula
- C18H22N2O
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.17321333
Names & identifiers
- Preferred name
- 2-Methoxy-5,8,11-trimethyl-6,12-dihydrobenzo[c][1,5]benzodiazocine
- IUPAC
- 2-methoxy-5,8,11-trimethyl-6,12-dihydrobenzo[c][1,5]benzodiazocine
- English name
- 2-Methoxy-5,8,11-trimethyl-5,6,11,12-tetrahydro-dibenzo[b,f][1,5]diazocine
- Molecular formula
- C18H22N2O
- Molecular weight
- 282.38
Names & synonyms
85021-22-32-methoxy-5,8,11-trimethyl-6,12-dihydrobenzo[c][1,5]benzodiazocine2-METHOXY-5,8,11-TRIMETHYL-5,6,11,12-TETRAHYDRODIBENZO[B,F][1,5]DIAZOCINEOprea1_636791DTXSID40357303AP-132/15381004methyl 5,8,11-trimethyl-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocin-2-yl ether2-Methoxy-5,8,11-trimethyl-5,6,11,12-tetrahydro-dibenzo[b,f][1,5]diazocineDibenzo[b,f][1,5]diazocine, 5,6,11,12-tetrahydro-2-methoxy-5,8,11-trimethyl-
Database identifiers
- CAS
85021-22-3- PubChem CID
- 849906
- DTXSID
DTXSID40357303- Nikkaji
- J946.944C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 136 · 136-137 °C
- Boiling point
- 472.4 · 472.4±45.0 °C(Predicted)
- Density
- 1.069 · 1.069±0.06 g/cm3(Predicted)
- pka
- 5.3 · 5.30±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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