Basic information
- CAS
90476-08-7- Standard SMILES
CC(=O)OCN(C)N=Nc1ccc(C#N)cc1- InChIKey
BOCQZAGZDIQQST-UHFFFAOYSA-N- Molecular formula
- C11H12N4O2
- Average molar mass
- 232.24 g/mol
- Monoisotopic mass
- 232.09602564
Names & identifiers
- Preferred name
- [[(4-Cyanophenyl)diazenyl]-methylamino]methyl acetate
- IUPAC
- [[(4-cyanophenyl)diazenyl]-methylamino]methyl acetate
Names & synonyms
NSC37208190476-08-7DTXSID10321218NSC-372081[(2E)-3-(4-Cyanophenyl)-1-methyltriaz-2-en-1-yl]methyl acetate
Database identifiers
- CAS
90476-08-7- PubChem CID
- 340883
- DTXSID
DTXSID10321218
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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