Quinoline, 1,2,3,4-tetrahydro-1,3,3-trimethyl-
Completing data — refresh the page later to see the latest
Basic information
- CAS
53207-55-9- Standard SMILES
CN1CC(C)(C)Cc2ccccc21- InChIKey
UBABTTHJZBCRCI-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609955
Names & identifiers
- Preferred name
- Quinoline, 1,2,3,4-tetrahydro-1,3,3-trimethyl-
- IUPAC
- 1,3,3-trimethyl-2,4-dihydroquinoline
- English name
- 1,2,3,4-Tetrahydro-1,3,3-trimethylquinoline
- Molecular formula
- C12H17N
- Molecular weight
- 175.27
Names & synonyms
1,3,3-Trimethyl-1,2,3,4-tetrahydroquinolineQuinoline, 1,2,3,4-tetrahydro-1,3,3-trimethyl-53207-55-9BRN 1565312DTXSID102012885-20-06-00430 (Beilstein Handbook Reference)RefChem:378456DTXCID101237791,2,3,4-TETRAHYDRO-1,3,3-TRIMETHYLQUINOLINESCHEMBL16687886DB-300876
Database identifiers
- CAS
53207-55-9- PubChem CID
- 104440
- DTXSID
DTXSID10201288- Nikkaji
- J84.935I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 261.1 · 261.1±9.0 °C(Predicted)
- Density
- 0.943 · 0.943±0.06 g/cm3(Predicted)
- pka
- 6.15 · 6.15±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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