Basic information
- CAS
78265-95-9- Standard SMILES
COc1cc(NNc2ccccc2)ccc1N=O- InChIKey
SZNPCTMXZBVMRE-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.10077667
Names & identifiers
- Preferred name
- N-Hydroxy-2-methoxy-4-(phenylazo)-benzenamine
- IUPAC
- 1-(3-methoxy-4-nitrosophenyl)-2-phenylhydrazine
- English name
- N-hydroxy-2-methoxy-4-(phenylazo)-benzenamine
- Molecular formula
- C13H13N3O2
- Molecular weight
- 243.26
Names & synonyms
N-Hydroxy-3-methoxy-4-aminoazobenzene78265-95-9D39537QYE6Hydroxylamine, N-(2-methoxy-4-(phenylazo)phenyl)-N-Hydroxy-2-methoxy-4-(phenylazo)-benzenamine4-Hydroxy-3-methoxy-4-aminoazobenzeneHydroxylamine, N-(4-(phenylazo)-2-methoxyphenyl)-N-Hydroxy-2-methoxy-4-(phenylazo)benzenamineN-(2-Methoxy-4-(phenylazo)phenyl)hydroxylamineN-(4-(Phenylazo)-2-methoxyphenyl)hydroxylamineBenzenamine, N-hydroxy-2-methoxy-4-(phenylazo)-1-(3-methoxy-4-nitrosophenyl)-2-phenylhydrazine
Show more names
UNII-D39537QYE6DTXSID00999602
Database identifiers
- CAS
78265-95-9- PubChem CID
- 46549
- DTXSID
DTXSID00999602- UNII
- D39537QYE6
- Nikkaji
- J86.791H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 386.13 °C · 386.13°C (rough estimate)
- Density
- 1.1758 · 1.1758 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- pka
- 8.077 · 8.077±0.70(predicted)
- FDA UNII
- 39537 QYE6 · D39537QYE6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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