1-[(2e)-3-(4-Methoxyphenyl)-1-methyltriaz-2-en-1-yl]ethanone
Basic information
- CAS
87072-62-6- Standard SMILES
COc1ccc(N=NN(C)C(C)=O)cc1- InChIKey
ALJQINSLSYSISP-UHFFFAOYSA-N- Molecular formula
- C10H13N3O2
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.10077667
Names & identifiers
- Preferred name
- 1-[(2e)-3-(4-Methoxyphenyl)-1-methyltriaz-2-en-1-yl]ethanone
- IUPAC
- N-[(4-methoxyphenyl)diazenyl]-N-methylacetamide
Names & synonyms
87072-62-61-[(2e)-3-(4-methoxyphenyl)-1-methyltriaz-2-en-1-yl]ethanoneNSC156203DTXSID60303044NSC-1562031-[(2E)-3-(4-Methoxyphenyl)-1-methyltriaz-2-en-1-yl]ethan-1-one
Database identifiers
- CAS
87072-62-6- PubChem CID
- 291244
- DTXSID
DTXSID60303044
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP2.61
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Compound notes
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