1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-butyl-5-(2-(4-pyridyl)ethyl)-
Basic information
- CAS
16566-78-2- Standard SMILES
CCCCN1CCc2c(c3ccccc3n2CCc2ccncc2)C1- InChIKey
IRHMIPLGKBRHIW-UHFFFAOYSA-N- Molecular formula
- C22H27N3
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.22049787
Names & identifiers
- Preferred name
- 1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-butyl-5-(2-(4-pyridyl)ethyl)-
- IUPAC
- 2-butyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
- English name
- 2,3,4,5-Tetrahydro-2-butyl-5-[2-(4-pyridyl)ethyl]-1H-pyrido[4,3-b]indole
- Molecular formula
- C22H27N3
- Molecular weight
- 333.47
Names & synonyms
16566-78-21H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-butyl-5-(2-(4-pyridyl)ethyl)-2,3,4,5-Tetrahydro-2-butyl-5-(2-(4-pyridyl)ethyl)-1H-pyrido(4,3-b)indole2,3,4,5-Tetrahydro-2-butyl-5-[2-(4-pyridyl)ethyl]-1H-pyrido[4,3-b]indoleBRN 09336822-butyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indoleDTXSID301680062-Butyl-5-[2-(pyridin-4-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole1H-Pyrido[4,3-b]indole, 2-butyl-2,3,4,5-tetrahydro-5-[2-(4-pyridinyl)ethyl]-
Database identifiers
- CAS
16566-78-2- PubChem CID
- 204537
- DTXSID
DTXSID30168006- Nikkaji
- J85.822F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 21.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Boiling point
- 519.2 · 519.2±50.0 °C(Predicted)
- Density
- 1.11 · 1.11±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
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