12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-
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Basic information
- CAS
37683-55-9- Standard SMILES
CN(C)CCn1c2c(c3ccccc31)CCOc1ccccc1-2- InChIKey
PRPQNSWVCYYHLY-UHFFFAOYSA-N- Molecular formula
- C20H22N2O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.17321333
Names & identifiers
- Preferred name
- 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-
- IUPAC
- 2-(6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylethanamine
- English name
- 6,7-Dihydro-N,N-dimethyl-12H-[1]benzoxepino[5,4-b]indole-12-ethanamine
- Molecular formula
- C20H22N2O
- Molecular weight
- 306.4
Names & synonyms
BRN 056482137683-55-912H-(1)BENZOXEPINO(5,4-b)INDOLE, 6,7-DIHYDRO-12-(2-DIMETHYLAMINOETHYL)-DTXSID901911186,7-Dihydro-N,N-dimethyl-12H-(1)benzoxepino(5,4-b)indole-12-ethanamine12H-(1)Benzoxepino(5,4-b)indole-12-ethanamine, 6,7-dihydro-N,N-dimethyl-RefChem:236450DTXCID00113609DB-2294586,7-Dihydro-12-(2-dimethylaminoethyl)-12H-(1)benzoxepino(5,4-b)indole2-(6,7-Dihydro-12H-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylethan-1-amine6,7-Dihydro-N,N-dimethyl-12H-[1]benzoxepino[5,4-b]indole-12-ethanamine
Show more names
12H-[1]Benzoxepino[5,4-b]indole-12-ethanamine, 6,7-dihydro-N,N-dimethyl-
Database identifiers
- CAS
37683-55-9- PubChem CID
- 37811
- DTXSID
DTXSID90191118- Nikkaji
- J67.943G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 17.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 495.4 · 495.4±33.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 9.33 · 9.33±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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