p-(3-(p-tert-Butylbenzyl)-3-methyl-1-triazeno)benzoic acid
Basic information
- CAS
65542-20-3- Standard SMILES
CN(Cc1ccc(C(C)(C)C)cc1)N=Nc1ccc(C(=O)O)cc1- InChIKey
YPWNPYJNMLENNZ-UHFFFAOYSA-N- Molecular formula
- C19H23N3O2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.17902698
Names & identifiers
- Preferred name
- p-(3-(p-tert-Butylbenzyl)-3-methyl-1-triazeno)benzoic acid
- IUPAC
- 4-[[(4-tert-butylphenyl)methyl-methylamino]diazenyl]benzoic acid
- English name
- p-[3-(p-tert-Butylbenzyl)-3-methyl-1-triazeno]benzoic acid
- Molecular formula
- C19H23N3O2
- Molecular weight
- 325.4
Names & synonyms
65542-20-3p-(3-(p-tert-Butylbenzyl)-3-methyl-1-triazeno)benzoic acidBRN 1825742BENZOIC ACID, p-(3-(p-tert-BUTYLBENZYL)-3-METHYL-1-TRIAZENO)-DTXSID801384441p-[3-(p-tert-Butylbenzyl)-3-methyl-1-triazeno]benzoic acidBenzoic acid, 4-[3-[[4-(1,1-dimethylethyl)phenyl]methyl]-3-methyl-1-triazen-1-yl]-
Database identifiers
- CAS
65542-20-3- PubChem CID
- 47670
- DTXSID
DTXSID801384441- Nikkaji
- J87.176A
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- Melting point
- 146 °C · 146 °C
- Boiling point
- 475.6 · 475.6±55.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 4.21 · 4.21±0.10(Predicted)
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Compound notes
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