6,8-Dimethylquinoline
Basic information
- CAS
2436-93-3- Standard SMILES
Cc1cc(C)c2ncccc2c1- InChIKey
RLZSSWLXBLSQKI-UHFFFAOYSA-N- Molecular formula
- C11H11N
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.08914936
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6,8-Dimethylquinoline
- IUPAC
- 6,8-dimethylquinoline
- English name
- 6,8-dimethylquinoline
- Molecular formula
- C11H11N
- Molecular weight
- 157.21
Names & synonyms
6,8-Dimethylquinoline2436-93-3DTXSID30870975RefChem:9137056,8-DMQDTXCID90818651219-434-9Quinoline, 6,8-dimethyl-MFCD00554463EINECS 219-434-96,8-Dimethyl-quinolineSCHEMBL874272
Show more names
2-Bromo-N-butyl-4-nitroaniline2-Bromo-1-butylamino-4-nitrobenzene2-Bromo-N-butyl-4-nitroaniline,2-Bromo-1-butylamino-4-nitrobenzene
AKOS022889855BS-27763CS-0090614NS00046915D74941InChI=1/C11H11N/c1-8-6-9(2)11-10(7-8)4-3-5-12-11/h3-7H,1-2H
Database identifiers
- CAS
2436-93-3- PubChem CID
- 75528
- DTXSID
DTXSID30870975- EC Number
- 219-434-9
- Nikkaji
- J134.845K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 51.53 °C · 51.53°C (estimate)
- Boiling point
- 268.55 °C · 268.55°C
- Density
- 1.0665 · 1.0665
- refractive index
- 1.6094 · 1.6094 (estimate)
- storage temp.
- Room temperature.
- pka
- 5.26 · 5.26±0.20(Predicted)
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Related reactions
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Compound notes
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