Basic information
- CAS
1031928-03-6- Standard SMILES
CCc1ccc2nc(Cl)c(CC)cc2c1- InChIKey
BHHPKCLHNBANBB-UHFFFAOYSA-N- Molecular formula
- C13H14ClN
- Average molar mass
- 219.71 g/mol
- Monoisotopic mass
- 219.0814771
Names & identifiers
- Preferred name
- 2-Chloro-3,6-diethylquinoline
- IUPAC
- 2-chloro-3,6-diethylquinoline
- English name
- 2-Chloro-3,6-diethylquinoline
- Molecular formula
- C13H14ClN
- Molecular weight
- 219.71
Names & synonyms
2-Chloro-3,6-diethylquinoline1031928-03-6DTXSID30653609AKOS012534655EN300-630492Quinoline, 2-chloro-3,6-diethyl-
Database identifiers
- CAS
1031928-03-6- PubChem CID
- 39346014
- DTXSID
DTXSID30653609
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 324.8 · 324.8±37.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- 0.7 · 0.70±0.50(Predicted)
Chemistry & industry
Suppliers3 total
BioBlocks Incorporated[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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