Basic information
- CAS
316-83-6- Standard SMILES
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(F)cc12- InChIKey
GHWFHRKMHPXTRV-UHFFFAOYSA-N- Molecular formula
- C22H27ClFN3
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1877537
Names & identifiers
- Preferred name
- N4-(6-Chloro-2-fluoro-9-acridinyl)-N1,N1-diethyl-1,4-pentanediamine
- IUPAC
- 4-N-(6-chloro-2-fluoroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
- English name
- fluoroquinacrine
- Molecular formula
- C22H27ClFN3
- Molecular weight
- 387.92
Names & synonyms
Fluoroquinacrine316-83-63-Fluoro-7-chloro-9-(diethylamino-1-methylbutylamino)acridine1,4-Pentanediamine, N4-(6-chloro-2-fluoro-9-acridinyl)-N1,N1-diethyl-RefChem:927402N4-(6-Chloro-2-fluoro-9-acridinyl)-N1,N1-diethyl-1,4-pentanediamineN'-(6-Chloro-2-Fluoroacridin-9-yl-N,N-Diethylpentane-1,4-Diamine4-N-(6-chloro-2-fluoroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamineDTXSID60953563N'-(6-Chloro-2-Fluoroacridin-9-Yl)-N,N-Diethylpentane-1,4-Diamine4-[(6-Chloro-2-fluoroacridin-9(10H)-ylidene)amino]-N,N-diethylpentan-1-amine
Database identifiers
- CAS
316-83-6- PubChem CID
- 188945
- DTXSID
DTXSID60953563
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Boiling point
- 531.1 · 531.1±50.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- pka
- 10.47 · 10.47±0.25(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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