Basic information
- CAS
3348-22-9- Standard SMILES
CCCc1c(C)nc2ccc(OC)cc2c1Cl- InChIKey
OTODQSPNHDRBET-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO
- Average molar mass
- 249.73 g/mol
- Monoisotopic mass
- 249.0920418
Names & identifiers
- Preferred name
- 4-Chloro-6-methoxy-2-methyl-3-propylquinoline
- IUPAC
- 4-chloro-6-methoxy-2-methyl-3-propylquinoline
- English name
- 4-chloro-6-methoxy-2-methyl-3-propylquinoline
- Molecular formula
- C14H16ClNO
- Molecular weight
- 249.74
Names & synonyms
4-chloro-6-methoxy-2-methyl-3-propylquinoline3348-22-9CBMicro_027909DTXSID501254607AKOS000618553BIM-0028045.P001ST50004779AG-690/119722064-Chloro-6-methoxy-3-propylquinaldineQuinoline, 4-chloro-6-methoxy-2-methyl-3-propyl-
Database identifiers
- CAS
3348-22-9- PubChem CID
- 790780
- DTXSID
DTXSID501254607
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 275 ℃ · 275℃
- Boiling point
- 349.7 · 349.7±37.0 °C(Predicted)
- Density
- 1.143 · 1.143
- pka
- 4.59 · 4.59±0.50(Predicted)
Chemistry & industry
Suppliers4 total
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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