Basic information
- CAS
54951-33-6- Standard SMILES
c1ccc2c(c1)CCCCN2CCN1CCCC1- InChIKey
UONKAYXKEKSURY-UHFFFAOYSA-N- Molecular formula
- C16H24N2
- Average molar mass
- 244.37 g/mol
- Monoisotopic mass
- 244.19394877
Names & identifiers
- Preferred name
- 1H-1-Benzazepine, 2,3,4,5-tetrahydro-1-(2-(1-pyrrolidinyl)ethyl)-
- IUPAC
- 1-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1-benzazepine
- English name
- 2,3,4,5-Tetrahydro-1-[2-(1-pyrrolidinyl)ethyl]-1H-1-benzazepine
- Molecular formula
- C16H24N2
- Molecular weight
- 244.38
Names & synonyms
54951-33-6BRN 16470271H-1-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-1-(2-(1-PYRROLIDINYL)ETHYL)-DTXSID802034761H-1-Benzazepine, 1-(2-(1-pyrrolidinyl)ethyl)-2,3,4,5-tetrahydro-5-20-06-00372 (Beilstein Handbook Reference)RefChem:237225DTXCID801259671-[2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1H-1-benzazepineDB-2921302,3,4,5-Tetrahydro-1-[2-(1-pyrrolidinyl)ethyl ]-1h-1-benzazepine2,3,4,5-Tetrahydro-1-[2-(1-pyrrolidinyl)ethyl]-1H-1-benzazepine
Show more names
1H-1-Benzazepine, 2,3,4,5-tetrahydro-1-[2-(1-pyrrolidinyl)ethyl]-
Database identifiers
- CAS
54951-33-6- PubChem CID
- 41248
- DTXSID
DTXSID80203476- Nikkaji
- J149.233K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 387.5 · 387.5±25.0 °C(Predicted)
- Density
- 1.024 · 1.024±0.06 g/cm3(Predicted)
- pka
- 10.04 · 10.04±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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