Basic information
- CAS
52416-18-9- Standard SMILES
CC(=O)c1ccc(N=NN(C)C)cc1- InChIKey
ZBVFWULSOYHNON-UHFFFAOYSA-N- Molecular formula
- C10H13N3O
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.10586205
Names & identifiers
- Preferred name
- 1-[4-(3,3-Dimethyl-1-triazen-1-yl)phenyl]ethanone
- IUPAC
- 1-[4-(dimethylaminodiazenyl)phenyl]ethanone
- English name
- 4'-(3,3-Dimethyl-1-triazeno)acetophenone
- Molecular formula
- C10H13N3O
- Molecular weight
- 191.23
Names & synonyms
52416-18-91-[4-(3,3-Dimethyl-1-triazen-1-yl)phenyl]ethanone1-(4-(3,3-Dimethyl-1-triazen-1-yl)phenyl)ethanoneRefChem:2246984'-(3,3-Dimethyl-1-triazeno)acetophenoneU5QV5K9UV7ACETOPHENONE, 4'-(3,3-DIMETHYL-1-TRIAZENO)-NSC-1570321-[4-(dimethylaminodiazenyl)phenyl]ethanoneNSC 157032BRN 1818565NSC157032
Show more names
Ethanone, 1-[4-(3,3-dimethyl-1-triazen-1-yl)phenyl]-
Ethanone, 1-(4-(3,3-dimethyl-1-triazenyl)phenyl)-1-(4-Acetylphenyl)-3,3-dimethyltriazeneUNII-U5QV5K9UV7CHEMBL476861-[4-(3,3-dimethyltriaz-1-en-1-yl)phenyl]ethan-1-oneDTXSID001233014NSC226087NSC-226087
Database identifiers
- CAS
52416-18-9- PubChem CID
- 40381
- DTXSID
DTXSID001233014- ChEMBL
CHEMBL47686- UNII
- U5QV5K9UV7
- Nikkaji
- J83.943D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 90 · 90-92 °C(Solv: isopropyl ether (108-20-3))
- Boiling point
- 298.9 · 298.9±42.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 0.9 · 0.90±0.70(Predicted)
- FDA UNII
- 5 QV5K9UV7 · U5QV5K9UV7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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