Basic information
- CAS
65542-18-9- Standard SMILES
COc1ccc(CN(C)N=Nc2ccc(C(=O)O)cc2)cc1- InChIKey
DSKLAYUHVDHXSH-UHFFFAOYSA-N- Molecular formula
- C16H17N3O3
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.12699141
Names & identifiers
- Preferred name
- p-(3-(p-Methoxybenzyl)-3-methyl-1-triazeno)benzoic acid
- IUPAC
- 4-[[(4-methoxyphenyl)methyl-methylamino]diazenyl]benzoic acid
- English name
- p-[3-(p-Methoxybenzyl)-3-methyl-1-triazeno]benzoic acid
- Molecular formula
- C16H17N3O3
- Molecular weight
- 299.32
Names & synonyms
65542-18-9BRN 1824314p-(3-(p-Methoxybenzyl)-3-methyl-1-triazeno)benzoic acidBENZOIC ACID, p-(3-(p-METHOXYBENZYL)-3-METHYL-1-TRIAZENO)-DTXSID608780004-{3-[(4-METHOXYPHENYL)METHYL]-3-METHYLTRIAZ-1-EN-1-YL}BENZOIC ACID4-[3-[(4-Methoxyphenyl)methyl]-3-methyl-1-triazen-1-yl]benzoic acidp-[3-(p-Methoxybenzyl)-3-methyl-1-triazeno]benzoic acidBenzoic acid, 4-[3-[(4-methoxyphenyl)methyl]-3-methyl-1-triazen-1-yl]-
Database identifiers
- CAS
65542-18-9- PubChem CID
- 47668
- DTXSID
DTXSID60878000- Nikkaji
- J87.227J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Melting point
- 157 °C · 157 °C
- Boiling point
- 479.3 · 479.3±55.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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