4-Quinolineamine, N-(2-((2-chloroethyl)thio)ethyl)-7-(trifluoromethyl)-, hydrochloride
Basic information
- CAS
38914-94-2- Standard SMILES
Cl.FC(F)(F)c1ccc2c(NCCSCCCl)ccnc2c1- InChIKey
MKNNXAYNWPJYGI-UHFFFAOYSA-N- Molecular formula
- C14H15Cl2F3N2S
- Average molar mass
- 371.2 g/mol
- Monoisotopic mass
- 370.0285095
Names & identifiers
- Preferred name
- 4-Quinolineamine, N-(2-((2-chloroethyl)thio)ethyl)-7-(trifluoromethyl)-, hydrochloride
- IUPAC
- N-[2-(2-chloroethylsulfanyl)ethyl]-7-(trifluoromethyl)quinolin-4-amine;hydrochloride
- English name
- 4-Quinolineamine, N-(2-((2-chloroethyl)thio)ethyl)-7-(trifluoromethyl) -, hydrochloride
- Molecular weight
- 0
Names & synonyms
38914-94-2ICR 3364-Quinolineamine, N-(2-((2-chloroethyl)thio)ethyl)-7-(trifluoromethyl)-, hydrochlorideDTXSID901921654-((2-((2-Chloroethyl)thio)ethyl)amino)-7-trifluoromethylquinoline hydrochlorideQuinoline, 4-((2-((2-chloroethyl)thio)ethyl)amino)-7-trifluoromethyl-, hydrochlorideRefChem:296246DTXCID00114656N-[2-(2-chloroethylsulfanyl)ethyl]-7-(trifluoromethyl)quinolin-4-amine hydrochlorideSCHEMBL30677003MKNNXAYNWPJYGI-UHFFFAOYSA-NN-{2-[(2-Chloroethyl)sulfanyl]ethyl}-7-(trifluoromethyl)-4-quinolinamine hydrochloride
Show more names
4-Quinolineamine, N-(2-((2-chloroethyl)thio)ethyl)-7-(trifluoromethyl) -, hydrochloride
N-{2-[(2-Chloroethyl)sulfanyl]ethyl}-7-(trifluoromethyl)quinolin-4-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
38914-94-2- PubChem CID
- 217455
- DTXSID
DTXSID90192165
Properties
Computed structural properties
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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