Basic information
- CAS
4845-14-1- Standard SMILES
CN(C=O)c1ccc(N=Nc2ccccc2)cc1- InChIKey
PUPBFFGOAGWILX-UHFFFAOYSA-N- Molecular formula
- C14H13N3O
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.10586205
Names & identifiers
- Preferred name
- 4-Formylmonomethylaminoazobenzene
- IUPAC
- N-methyl-N-(4-phenyldiazenylphenyl)formamide
- English name
- N-Methyl-N-[4-(phenylazo)phenyl]formamide
- Molecular formula
- C14H13N3O
- Molecular weight
- 239.27
Names & synonyms
4845-14-14-FormylmonomethylaminoazobenzeneN-Formyl-N-methyl-p-(phenylazo)anilineANILINE, N-FORMYL-N-METHYL-p-(PHENYLAZO)-N-Methyl-N-[4-(phenylazo)phenyl]formamideSCHEMBL14156423DTXSID001039933Formamide, N-methyl-N-[4-(2-phenyldiazenyl)phenyl]-
Database identifiers
- CAS
4845-14-1- PubChem CID
- 20987
- DTXSID
DTXSID001039933- Nikkaji
- J33.844C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 381.93 °C · 381.93°C (rough estimate)
- Density
- 1.124 · 1.1240 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- pka
- -1.04 · -1.04±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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