Basic information
- CAS
39656-62-7- Standard SMILES
CCOC1CC2C(=O)N(C)C(=O)N(C)N12- InChIKey
BUPPXCVHSRGKDZ-UHFFFAOYSA-N- Molecular formula
- C9H15N3O3
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.11134135
Names & identifiers
- Preferred name
- 1,2,4-Triazabicyclo[4.2.0]octane-3,5-dione,8-ethoxy-2,4-dimethyl-
- IUPAC
- 8-ethoxy-2,4-dimethyl-1,2,4-triazabicyclo[4.2.0]octane-3,5-dione
- English name
- 1,2,4-Triazabicyclo[4.2.0]octane-3,5-dione,8-ethoxy-2,4-dimethyl-(9CI)
- Molecular formula
- C9H15N3O3
- Molecular weight
- 213.23
Names & synonyms
39656-62-71,2,4-triazabicyclo[4.2.0]octane-3,5-dione,8-ethoxy-2,4-dimethyl-1,2,4-Triazabicyclo[4.2.0]octane-3,5-dione, 8-ethoxy-2,4-dimethyl-1,2,4-Triazabicyclo[4.2.0]octane-3,5-dione,8-ethoxy-2,4-dimethyl-(9CI)
Database identifiers
- CAS
39656-62-7- PubChem CID
- 45094340
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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