Benzoic acid, 3-(3,3-dimethyl-1-triazenyl)-4-methyl-, ethyl ester
Basic information
- CAS
76765-20-3- Standard SMILES
CCOC(=O)c1ccc(C)c(N=NN(C)C)c1- InChIKey
KBMHHFCMMQOGQK-UHFFFAOYSA-N- Molecular formula
- C12H17N3O2
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.13207679
Names & identifiers
- Preferred name
- Benzoic acid, 3-(3,3-dimethyl-1-triazenyl)-4-methyl-, ethyl ester
- IUPAC
- ethyl 3-(dimethylaminodiazenyl)-4-methylbenzoate
Names & synonyms
NSC65133576765-20-3Ethyl 3-(3,3-dimethyl-1-triazenyl)-4-methylbenzoateEthyl 3-(3,3-dimethyltriazeno)-P-toluateBenzoic acid, 3-(3,3-dimethyl-1-triazenyl)-4-methyl-, ethyl esterP-Toluic acid, 3-(3,3-dimethyltriazeno)-, ethyl esterCHEMBL1982199NSC-651335NCI60_017929ethyl 3-[(E)-dimethylaminoazo]-4-methyl-benzoate
Database identifiers
- CAS
76765-20-3- PubChem CID
- 374075
- ChEMBL
CHEMBL1982199
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
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Compound notes
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