Basic information
- CAS
65542-19-0- Standard SMILES
CC(=O)Nc1ccc(CN(C)N=Nc2ccc(C(=O)O)cc2)cc1- InChIKey
KRBFPTXUUCFGIA-UHFFFAOYSA-N- Molecular formula
- C17H18N4O3
- Average molar mass
- 326.35 g/mol
- Monoisotopic mass
- 326.13789045
Names & identifiers
- Preferred name
- p-(3-(p-Acetamidobenzyl)-3-methyl-1-triazeno)benzoic acid
- IUPAC
- 4-[[(4-acetamidophenyl)methyl-methylamino]diazenyl]benzoic acid
Names & synonyms
65542-19-0p-(3-(p-Acetamidobenzyl)-3-methyl-1-triazeno)benzoic acidBRN 1826833NSC267006BENZOIC ACID, p-(3-(p-ACETAMIDOBENZYL)-3-METHYL-1-TRIAZENO)-DTXSID30878173NSC 267006NSC-2670064-{3-[(4-ACETAMIDOPHENYL)METHYL]-3-METHYLTRIAZ-1-EN-1-YL}BENZOIC ACID4-[3-[[4-(Acetylamino)phenyl]methyl]-3-methyl-1-triazen-1-yl]benzoic acid
Database identifiers
- CAS
65542-19-0- PubChem CID
- 47669
- DTXSID
DTXSID30878173- Nikkaji
- J76.302K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 453
Experimental & physicochemical properties
LogP3.35
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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