Basic information
- CAS
67371-65-7- Standard SMILES
Cc1cccc(N=Nc2ccc(N(C)OC(=O)c3ccccc3)cc2)c1- InChIKey
RHBKXLICNMGDDQ-UHFFFAOYSA-N- Molecular formula
- C21H19N3O2
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.14772686
Names & identifiers
- Preferred name
- N-Benzoyloxy-3'-methyl-4-methylaminoazobenzene
- IUPAC
- [N-methyl-4-[(3-methylphenyl)diazenyl]anilino] benzoate
- English name
- N-benzoyloxy-3'-methyl-4-methylaminoazobenzene
- Molecular formula
- C21H19N3O2
- Molecular weight
- 345.39
Names & synonyms
N-Benzoyloxy-3'-methyl-4-methylaminoazobenzene67371-65-7[N-methyl-4-[(3-methylphenyl)diazenyl]anilino] benzoateDTXSID901040191BENZENAMINE, N-(BENZOYLOXY)-N-METHYL-4-((3-METHYLPHENYL)AZO)-Benzoic acid, methyl[4-[2-(3-methylphenyl)diazenyl]phenyl]azanyl ester
Database identifiers
- CAS
67371-65-7- PubChem CID
- 49832
- DTXSID
DTXSID901040191- Nikkaji
- J397.553C
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
- 468
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)
- Toxicity
- 20 mmol/L · otr-rat:lvr 20 mmol/L JJIND8 76,95,86
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
- Toxicity
- otr-rat:lvr 20 mmol/L JJIND8 76,95,86
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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