1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-propyl-5-(2-(2-pyridyl)ethyl)-
Basic information
- CAS
16566-76-0- Standard SMILES
CCCN1CCc2c(c3ccccc3n2CCc2ccccn2)C1- InChIKey
YNRJMXQFHCWKFT-UHFFFAOYSA-N- Molecular formula
- C21H25N3
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.20484781
Names & identifiers
- Preferred name
- 1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-propyl-5-(2-(2-pyridyl)ethyl)-
- IUPAC
- 2-propyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
- English name
- 2,3,4,5-Tetrahydro-2-propyl-5-[2-(2-pyridyl)ethyl]-1H-pyrido[4,3-b]indole
- Molecular formula
- C21H25N3
- Molecular weight
- 319.44
Names & synonyms
16566-76-01H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-propyl-5-(2-(2-pyridyl)ethyl)-2,3,4,5-Tetrahydro-2-propyl-5-(2-(2-pyridyl)ethyl)-1H-pyrido(4,3-b)indole2,3,4,5-Tetrahydro-2-propyl-5-[2-(2-pyridyl)ethyl]-1H-pyrido[4,3-b]indoleBRN 09298662-propyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indoleDTXSID701680052-Propyl-5-[2-(pyridin-2-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-2-propyl-5-[2-(2-pyridinyl)ethyl]-
Database identifiers
- CAS
16566-76-0- PubChem CID
- 204536
- DTXSID
DTXSID70168005- Nikkaji
- J85.857I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 21.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 494.7 · 494.7±45.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 9.1 · 9.10±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…