Basic information
- CAS
23456-94-2- Standard SMILES
CN(C)N=Nc1ccc(F)cc1- InChIKey
XOIRGVCSIQKKPR-UHFFFAOYSA-N- Molecular formula
- C8H10FN3
- Average molar mass
- 167.18 g/mol
- Monoisotopic mass
- 167.08587549
Names & identifiers
- Preferred name
- 3,3-Dimethyl-1-(4-fluorophenyl)triazene
- IUPAC
- N-[(4-fluorophenyl)diazenyl]-N-methylmethanamine
- English name
- 1-(p-Fluorophenyl)-3,3-dimethyltriazene
- Molecular formula
- C8H10FN3
- Molecular weight
- 167.18
Names & synonyms
23456-94-23,3-Dimethyl-1-(4-fluorophenyl)triazeneDTXSID101030910RefChem:1065613DTXCID601515975BRN 09568893,3-Dimethyl-1-(p-fluorophenyl)triazene1-p-Fluorfenyl-3,3-dimethyltriazen [Czech]Triazene, 3,3-dimethyl-1-(p-fluorophenyl)-1-p-Fluorfenyl-3,3-dimethyltriazen1-(p-Fluorophenyl)-3,3-dimethyltriazeneCHEMBL49339
Show more names
1-(4-Fluorophenyl)-3,3-dimethyltriazene1-Triazene, 1-(4-fluorophenyl)-3,3-dimethyl-
AKOS006279280
Database identifiers
- CAS
23456-94-2- PubChem CID
- 90106
- DTXSID
DTXSID101030910- ChEMBL
CHEMBL49339- Nikkaji
- J48.091F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 33 · 33-35 °C(Solv: methanol (67-56-1))
- Boiling point
- 209.6 · 209.6±42.0 °C(Predicted)
- Density
- 1.1667 · 1.1667 (estimate)
- pka
- 0.42 · 0.42±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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