Basic information
- CAS
331-91-9- Standard SMILES
CN(C)c1ccc(N=Nc2ccccc2F)cc1- InChIKey
IPZKHNDQVUUVDA-UHFFFAOYSA-N- Molecular formula
- C14H14FN3
- Average molar mass
- 243.28 g/mol
- Monoisotopic mass
- 243.11717562
Names & identifiers
- Preferred name
- 2'-Fluoro-4-dimethylaminoazobenzene
- IUPAC
- 4-[(2-fluorophenyl)diazenyl]-N,N-dimethylaniline
- English name
- 4-[(2-Fluorophenyl)azo]-N,N-dimethylbenzenamine
- Molecular weight
- 243.28
Names & synonyms
331-91-92'-Fluoro-4-dimethylaminoazobenzeneAniline, p-((o-fluorophenyl)azo)-N,N-dimethyl-4-(Dimethylamino)-2'-fluoroazobenzeneD4UKK83S4MBRN 0749028N,N-Dimethyl-p-(2-fluorophenylazo)aniline4-[(2-fluorophenyl)azo]-n,n-dimethylbenzenamineANILINE, N,N-DIMETHYL-p-(2-FLUOROPHENYLAZO)-UNII-D4UKK83S4MIPZKHNDQVUUVDA-UHFFFAOYSA-NFLUORO-4-DIMETHYLAMINOAZOBENZENE, O-
Show more names
Q27276096BENZENAMINE, 4-((2-FLUOROPHENYL)AZO)-N,N-DIMETHYL-BENZENAMINE, 4-(2-(2-FLUOROPHENYL)DIAZENYL)-N,N-DIMETHYL-
Database identifiers
- CAS
331-91-9- PubChem CID
- 9512
- UNII
- D4UKK83S4M
- Nikkaji
- J33.820F
Properties
Computed structural properties
- XLogP
- 3.9
- 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
Physicochemical properties
- Boiling point
- 377.883 · 377.883±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.1826 · 1.1826 (estimate)
- pka
- 3.281 · 3.281±0.10(predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 UKK83S4M · D4UKK83S4M
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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