Quinoline, 1-butyl-1,2,3,4-tetrahydro-
Basic information
- CAS
6613-30-5- Standard SMILES
CCCCN1CCCc2ccccc21- InChIKey
HIWBVBCKPRGRCD-UHFFFAOYSA-N- Molecular formula
- C13H19N
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 189.15174961
Names & identifiers
- Preferred name
- Quinoline, 1-butyl-1,2,3,4-tetrahydro-
- IUPAC
- 1-butyl-3,4-dihydro-2H-quinoline
Names & synonyms
Quinoline, 1-butyl-1,2,3,4-tetrahydro-6613-30-5DTXSID9074648RefChem:871985DTXCID60447291-Butyl-1,2,3,4-tetrahydroquinolineSCHEMBL6882714SCHEMBL28477103SCHEMBL30433983HIWBVBCKPRGRCD-UHFFFAOYSA-N
Database identifiers
- CAS
6613-30-5- PubChem CID
- 10241606
- DTXSID
DTXSID9074648- Nikkaji
- J683.195H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinoline, 1-butyl-1,2,3,4-tetrahydro-: ACTIVE
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Related reactions
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Compound notes
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