Basic information
- CAS
55398-25-9- Standard SMILES
Cc1ccc(N=Nc2ccc(N(C)OC(=O)c3ccccc3)cc2)cc1- InChIKey
JQCSHZDWHXXNQQ-UHFFFAOYSA-N- Molecular formula
- C21H19N3O2
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.14772686
Names & identifiers
- Preferred name
- N-Benzoyloxy-4'-methyl-N-methyl-4-aminoazobenzene
- IUPAC
- [N-methyl-4-[(4-methylphenyl)diazenyl]anilino] benzoate
- English name
- N-(Benzoyloxy)-N-methyl-4-[(4-methylphenyl)azo]benzenamine
- Molecular formula
- C21H19N3O2
- Molecular weight
- 345.39
Names & synonyms
55398-25-9N-Benzoyloxy-4'-methyl-N-methyl-4-aminoazobenzenen-(benzoyloxy)-n-methyl-4-[(4-methylphenyl)azo]benzenamineBENZOIC ACID, ester with N-METHYL-N-(p-(p-METHYLPHENYLAZO)PHENYL)HYDROXYLAMINEDTXSID401038987Benzoic acid, methyl[4-[2-(4-methylphenyl)diazenyl]phenyl]azanyl ester
Database identifiers
- CAS
55398-25-9- PubChem CID
- 41435
- DTXSID
DTXSID401038987- Nikkaji
- J87.232F
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Boiling point
- 480.31 °C · 480.31°C (rough estimate)
- Density
- 1.2118 · 1.2118 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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