Benzoic acid, 2-(3-methyl-3-propyl-1-triazenyl)-
Basic information
- CAS
66974-64-9- Standard SMILES
CCCN(C)N=Nc1ccccc1C(=O)O- InChIKey
ZMEOAYBTLXINRY-UHFFFAOYSA-N- Molecular formula
- C11H15N3O2
- Average molar mass
- 221.26 g/mol
- Monoisotopic mass
- 221.11642673
Names & identifiers
- Preferred name
- Benzoic acid, 2-(3-methyl-3-propyl-1-triazenyl)-
- IUPAC
- 2-[[methyl(propyl)amino]diazenyl]benzoic acid
Names & synonyms
66974-64-9Benzoic acid, 2-(3-methyl-3-propyl-1-triazenyl)-NSC173201CHEMBL3250779DTXSID80306012NSC-1732012-[(1E)-3-Methyl-3-propyltriaz-1-en-1-yl]benzoic acid
Database identifiers
- CAS
66974-64-9- PubChem CID
- 299841
- DTXSID
DTXSID80306012- ChEMBL
CHEMBL3250779
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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