Basic information
- CAS
17895-76-0- Standard SMILES
CN(C)CCOC1c2ccccc2C=Cc2ncccc21- InChIKey
MMJOBDVNBROLRD-UHFFFAOYSA-N- Molecular formula
- C18H20N2O
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.15756327
Names & identifiers
- Preferred name
- 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 5-(2-(dimethylamino)ethoxy)-
- IUPAC
- 2-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yloxy)-N,N-dimethylethanamine
- English name
- 5-[2-(Dimethylamino)ethoxy]-5H-benzo[4,5]cyclohepta[1,2-b]pyridine
- Molecular formula
- C18H20N2O
- Molecular weight
- 280.36
Names & synonyms
17895-76-05-(2-(Dimethylamino)ethoxy)-5H-benzo(4,5)cyclohepta(1,2-b)pyridine5H-BENZO(4,5)CYCLOHEPTA(1,2-b)PYRIDINE, 5-(2-(DIMETHYLAMINO)ETHOXY)-5-[2-(Dimethylamino)ethoxy]-5H-benzo[4,5]cyclohepta[1,2-b]pyridineRefChem:305299DTXSID709391312-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yloxy)-N,N-dimethylethanamine2-[(5H-Benzo[4,5]cyclohepta[1,2-b]pyridin-5-yl)oxy]-N,N-dimethylethan-1-amineEthanamine, 2-(5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-yloxy)-N,N-dimethyl-
Database identifiers
- CAS
17895-76-0- PubChem CID
- 28822
- DTXSID
DTXSID70939131- Nikkaji
- J41.277E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 436.8 · 436.8±45.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 8.66 · 8.66±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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