Ethyl 4-[(1e)-3-butyl-3-methyltriaz-1-en-1-yl]benzoate
Basic information
- CAS
35942-74-6- Standard SMILES
CCCCN(C)N=Nc1ccc(C(=O)OCC)cc1- InChIKey
LTYMKWFBZQJUMG-UHFFFAOYSA-N- Molecular formula
- C14H21N3O2
- Average molar mass
- 263.34 g/mol
- Monoisotopic mass
- 263.16337692
Names & identifiers
- Preferred name
- Ethyl 4-[(1e)-3-butyl-3-methyltriaz-1-en-1-yl]benzoate
- IUPAC
- ethyl 4-[[butyl(methyl)amino]diazenyl]benzoate
Names & synonyms
35942-74-6ethyl 4-[(1e)-3-butyl-3-methyltriaz-1-en-1-yl]benzoateNSC87980DTXSID80293231NSC-87980
Database identifiers
- CAS
35942-74-6- PubChem CID
- 258708
- DTXSID
DTXSID80293231
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
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Compound notes
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