Basic information
- CAS
122168-71-2- Standard SMILES
CNc1ccc(N=Nc2ccc3[nH]ncc3c2)cc1- InChIKey
STPLHEAZDSWCBD-UHFFFAOYSA-N- Molecular formula
- C14H13N5
- Average molar mass
- 251.29 g/mol
- Monoisotopic mass
- 251.11709544
Names & identifiers
- Preferred name
- 5-(4-Methylaminophenylazo)indazole
- IUPAC
- 4-(1H-indazol-5-yldiazenyl)-N-methylaniline
- English name
- 5-(4-methylaminophenylazo)indazole
- Molecular formula
- C14H13N5
- Molecular weight
- 251.29
Names & synonyms
5-(4-Methylaminophenylazo)indazole122168-71-24-(1H-indazol-5-yldiazenyl)-N-methylanilineNIOSH/NK7950300SCHEMBL285487705-(p-Methylaminophenylazo)indazoleIndazole, 5-((p-(methylamino)phenyl)azo)-NK79503000Benzenamine, 4-(1H-indazol-5-ylazo)-N-methyl-
Database identifiers
- CAS
122168-71-2- PubChem CID
- 129602
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 502.497 · 502.497±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.288 · 1.288±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.741 · 13.741±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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