3-{[2-(Dimethylamino)ethyl]amino}-4-isopropoxy-3-cyclobutene-1,2-dione
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Basic information
- CAS
665025-05-8- Standard SMILES
CC(C)Oc1c(NCCN(C)C)c(=O)c1=O- InChIKey
QDYVZHMQBUYELL-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- 3-{[2-(Dimethylamino)ethyl]amino}-4-isopropoxy-3-cyclobutene-1,2-dione
- IUPAC
- 3-[2-(dimethylamino)ethylamino]-4-propan-2-yloxycyclobut-3-ene-1,2-dione
- English name
- 3-{[2-(dimethylamino)ethyl]amino}-4-isopropoxy-3-cyclobutene-1,2-dione
- Molecular formula
- C11H18N2O3
- Molecular weight
- 226.27222
Names & synonyms
3-{[2-(dimethylamino)ethyl]amino}-4-isopropoxy-3-cyclobutene-1,2-dioneAN-967/154900253-[2-(dimethylamino)ethylamino]-4-propan-2-yloxycyclobut-3-ene-1,2-dione
Database identifiers
- CAS
665025-05-8- PubChem CID
- 1803502
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
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Compound notes
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