Basic information
- CAS
140848-67-5- Standard SMILES
CCCN(CCC)[C@H]1CCc2cccn2C1- InChIKey
JLTVNRULFIBVDV-AWEZNQCLSA-N- Molecular formula
- C14H24N2
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.19394877
Overview
structure given in first source; a bioisoster of dopamine active bicyclic ergoline analogues; RN given refers to the (S)-isomer
Names & identifiers
- Preferred name
- 6-N,N-Dipropylamino-5,6,7,8-tetrahydroindolizine
- IUPAC
- (6S)-N,N-dipropyl-5,6,7,8-tetrahydroindolizin-6-amine
- English name
- (6S)-N,N-dipropyl-5,6,7,8-tetrahydroindolizin-6-amine
- Molecular formula
- C14H24N2
- Molecular weight
- 220.35
Names & synonyms
6-Dip-5,6,7,8-tetind140848-67-56-N,N-Dipropylamino-5,6,7,8-tetrahydroindolizineRefChem:1050706-Indolizinamine, 5,6,7,8-tetrahydro-N,N-dipropyl-, (S)-(6S)-N,N-dipropyl-5,6,7,8-tetrahydroindolizin-6-amineDTXSID90930923N,N-dipropyl-5,6,7,8-tetrahydroindolizin-6-amine
Database identifiers
- CAS
140848-67-5- PubChem CID
- 3083328
- DTXSID
DTXSID90930923- Nikkaji
- J446.130D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 8.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 332.52 · 332.520±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.998 · 0.998±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.157 · 8.157±0.20(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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