Dihydroazapetine
Basic information
- CAS
58335-95-8- Standard SMILES
CCCN1Cc2ccccc2-c2ccccc2C1- InChIKey
ICTNMQZODOQNGI-UHFFFAOYSA-N- Molecular formula
- C17H19N
- Average molar mass
- 237.34 g/mol
- Monoisotopic mass
- 237.15174961
Names & identifiers
- Preferred name
- Dihydroazapetine
- IUPAC
- 6-propyl-5,7-dihydrobenzo[d][2]benzazepine
- English name
- 6,7-Dihydro-6-propyl-5H-dibenz[c,e]azepine
- Molecular formula
- C17H19N
- Molecular weight
- 237.34
Names & synonyms
Dihydroazapetine58335-95-8RefChem:1337286-propyl-6,7-dihydro-5h-dibenzo[c,e]azepine6,7-Dihydro-6-propyl-5H-dibenz(c,e)azepine6,7-Dihydro-6-propyl-5H-dibenz[c,e]azepineRo 2-3502BRN 01851415H-Dibenz(c,e)azepine, 6,7-dihydro-6-propyl-DTXSID80973900DB-317911Ro-2-3502
Show more names
5H-Dibenz[c,e]azepine, 6,7-dihydro-6-propyl-
Database identifiers
- CAS
58335-95-8- PubChem CID
- 94018
- DTXSID
DTXSID80973900- Nikkaji
- J72.772E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 366.6 · 366.6±11.0 °C(Predicted)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- pka
- 7.68 · 7.68±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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