Basic information
- CAS
53452-65-6- Standard SMILES
CCCCc1ccc2ncccc2c1- InChIKey
HIFRWMLBTWKDIH-UHFFFAOYSA-N- Molecular formula
- C13H15N
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.12044948
Names & identifiers
- Preferred name
- 6-Butylquinoline
- IUPAC
- 6-butylquinoline
- English name
- 6-butylquinoline
- Molecular formula
- C13H15N
- Molecular weight
- 185.26
Names & synonyms
6-ButylquinolineQuinoline, 6-butyl-Quinoline, butyl-K0BBK7OARMUNII-K0BBK7OARMEINECS 231-564-8DTXSID5064758EINECS 258-564-0RefChem:104348DTXCID5047871231-564-8258-564-0
Show more names
HIFRWMLBTWKDIH-UHFFFAOYSA-N7634-74-46-butyl-quinolineSCHEMBL5540682SCHEMBL6115157SCHEMBL29827516NS00012067Q27281776
Database identifiers
- CAS
53452-65-6、7634-74-4- PubChem CID
- 82092
- DTXSID
DTXSID5064758- UNII
- K0BBK7OARM
- EC Number
- 231-564-8
- Nikkaji
- J113.670D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 161 · 161-164 °C(Press: 12 Torr)
- Density
- 1.014 · 1.014±0.06 g/cm3(Predicted)
- pka
- 5.19 · 5.19±0.10(Predicted)
- FDA UNII
- 0 BBK7OARM · K0BBK7OARM
- EPA Substance Registry System
- 6 · 6-Butylquinoline (7634-74-4)
- TSCA
- TSCA listed
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 Information
Chemical: Quinoline, 6-butyl-
Chemical: Quinoline, butyl-
Other Safety Information
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
IMAP assessments - Quinoline, butyl-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Quinoline, 6-butyl-: INACTIVE
Quinoline, butyl-: INACTIVE
Related reactions
1 records
Compound notes
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