Basic information
- CAS
65587-38-4- Standard SMILES
CN(Cc1ccccc1)N=Nc1ccc(C(=O)O)cc1- InChIKey
MBZDFRQDGNXUKS-UHFFFAOYSA-N- Molecular formula
- C15H15N3O2
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.11642673
Names & identifiers
- Preferred name
- p-(3-Benzyl-3-methyl-1-triazeno)benzoic acid
- IUPAC
- 4-[[benzyl(methyl)amino]diazenyl]benzoic acid
- English name
- p-(3-Benzyl-3-methyl-1-triazeno)benzoic acid
- Molecular formula
- C15H15N3O2
- Molecular weight
- 269.3
Names & synonyms
65587-38-4p-(3-Benzyl-3-methyl-1-triazeno)benzoic acidBRN 1843171NSC267005BENZOIC ACID, p-(3-BENZYL-3-METHYL-1-TRIAZENO)-CHEMBL2757144-(3-BENZYL-3-METHYLTRIAZ-1-EN-1-YL)BENZOIC ACIDDTXSID00877759NSC 267005NSC-2670054-(Benzyl-methyl-amino)diazenylbenzoic acidDS-005096
Show more names
Benzoic acid, 4-[3-methyl-3-(phenylmethyl)-1-triazen-1-yl]-
4-[3-Methyl-3-(phenylmethyl)-1-triazen-1-yl]benzoic acid
Database identifiers
- CAS
65587-38-4- PubChem CID
- 47684
- DTXSID
DTXSID00877759- ChEMBL
CHEMBL275714- Nikkaji
- J76.323C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Experimental & physicochemical properties
LogP0.94
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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