Basic information
- CAS
332-54-7- Standard SMILES
CN(C)c1ccc(N=Nc2cccc(F)c2)cc1- InChIKey
QPSNWMWKJWYOMD-UHFFFAOYSA-N- Molecular formula
- C14H14FN3
- Average molar mass
- 243.28 g/mol
- Monoisotopic mass
- 243.11717562
Names & identifiers
- Preferred name
- 4-[2-(3-Fluorophenyl)diazenyl]-N,N-dimethylbenzenamine
- IUPAC
- 4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline
- English name
- p-[(m-Fluorophenyl)azo]-N,N-dimethylaniline
- Molecular formula
- C14H14FN3
- Molecular weight
- 243.28
Names & synonyms
332-54-74-(2-(3-Fluorophenyl)diazenyl)-N,N-dimethylbenzenamine4-[2-(3-Fluorophenyl)diazenyl]-N,N-dimethylbenzenamineRefChem:1985484-(Dimethylamino)-3'-fluoroazobenzenep-[(m-Fluorophenyl)azo]-N,N-dimethylanilineKXC7Q36212m-Fluoro-p'-dimethylaminoazobenzenem-FluorodimethylaminoazobenzeneBRN 0748250N,N-Dimethyl-p-(3-fluorophenylazo)aniline3'-Fluoro-4-dimethylaminoazobenzene
Show more names
Benzenamine, 4-[2-(3-fluorophenyl)diazenyl]-N,N-dimethyl-BENZENAMINE, 4-(2-(3-FLUOROPHENYL)DIAZENYL)-N,N-DIMETHYL-4-[(3-fluorophenyl)diazenyl]-N,N-dimethylanilineANILINE, N,N-DIMETHYL-p-(3-FLUOROPHENYLAZO)-MLS001170860UNII-KXC7Q36212orb1986714CHEMBL1530391
Database identifiers
- CAS
332-54-7- PubChem CID
- 9516
- DTXSID
DTXSID001040063- ChEMBL
CHEMBL1530391- UNII
- KXC7Q36212
- Nikkaji
- J33.821D
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 377.883 · 377.883±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.1826 · 1.1826 (estimate)
- pka
- 3.284 · 3.284±0.10(predicted)
- FDA UNII
- 7 Q36212 · KXC7Q36212
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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