Basic information
- CAS
72017-90-4- Standard SMILES
COc1cc(N=Nc2ccc(N)cc2)ccc1N- InChIKey
YEWHSVBZJKUKRI-UHFFFAOYSA-N- Molecular formula
- C13H14N4O
- Average molar mass
- 242.28 g/mol
- Monoisotopic mass
- 242.11676108
Names & identifiers
- Preferred name
- 4-[2-(4-Aminophenyl)diazenyl]-2-methoxybenzenamine
- IUPAC
- 4-[(4-aminophenyl)diazenyl]-2-methoxyaniline
- English name
- 4-[(4-Aminophenyl)azo]-2-methoxybenzenamine
- Molecular formula
- C13H14N4O
- Molecular weight
- 242.28
Names & synonyms
72017-90-44-(2-(4-Aminophenyl)diazenyl)-2-methoxybenzenamine4-[2-(4-Aminophenyl)diazenyl]-2-methoxybenzenamineRefChem:287008Benzenamine, 4-[(4-aminophenyl)azo]-2-methoxy-Benzenamine, 4-((4-aminophenyl)azo)-2-methoxy-4-[(4-aminophenyl)diazenyl]-2-methoxyaniline4-((4-Aminophenyl)azo)-2-methoxybenzenamineSCHEMBL5720573SCHEMBL5720576Benzenamine, 4-(2-(4-aminophenyl)diazenyl)-2-methoxy-DTXSID7072462
Show more names
4-[(4-Aminophenyl)azo]-2-methoxybenzenamineBenzenamine, 4-[2-(4-aminophenyl)diazenyl]-2-methoxy-
YEWHSVBZJKUKRI-UHFFFAOYSA-N
Database identifiers
- CAS
72017-90-4- PubChem CID
- 3085679
- DTXSID
DTXSID7072462- Nikkaji
- J447.011G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 462.6 · 462.6±35.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.10(Predicted)
- EPA Substance Registry System
- 4 · Benzenamine, 4-[(4-aminophenyl)azo]-2-methoxy- (72017-90-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-[2-(4-aminophenyl)diazenyl]-2-methoxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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