Basic information
- CAS
314767-27-6- Standard SMILES
CCN1C(=O)N(CC)C2NC(=O)NC21- InChIKey
UBCFQFJAAWZFGX-UHFFFAOYSA-N- Molecular formula
- C8H14N4O2
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.1116757
Names & identifiers
- Preferred name
- 1,3-Diethyltetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
- IUPAC
- 4,6-diethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
- English name
- 1,3-diethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
- Molecular formula
- C8H14N4O2
- Molecular weight
- 198.22
Names & synonyms
1,3-Diethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione314767-27-61,3-Diethyltetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)-dioneRefChem:218529InChI=1/C8H14N4O2/c1-3-11-5-6(10-7(13)9-5)12(4-2)8(11)14/h5-6H,3-4H2,1-2H3,(H2,9,10,13UBCFQFJAAWZFGX-UHFFFAOYSA-N4,6-diethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dioneOprea1_326614Oprea1_790592DTXSID001181938HMS1613A20CCG-20428
Show more names
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 1,3-diethyltetrahydro-
STK028461AKOS000487392AKOS016352183AN-329/124222721,3-Dimethyl-2,5-dioxoimidazo[4,5-d]imidazol, perhydro1,3-Diethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione #
Database identifiers
- CAS
314767-27-6- PubChem CID
- 574580
- DTXSID
DTXSID001181938- Nikkaji
- J3.314.048G
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 477.6 · 477.6±45.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 13.77 · 13.77±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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