Basic information
- CAS
28115-25-5- Standard SMILES
CC12NC(=O)NC1(C)NC(=O)N2- InChIKey
HTMUAOILEIFUNM-UHFFFAOYSA-N- Molecular formula
- C6H10N4O2
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.08037557
Names & identifiers
- Preferred name
- Tetrahydro-3a,6a-dimethylimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
- IUPAC
- 3a,6a-dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
- English name
- Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione,tetrahydro-3a,6a-dimethyl-
- Molecular formula
- C6H10N4O2
- Molecular weight
- 170.17
Names & synonyms
Diacetyldiurein28115-25-53a,6a-Dimethylglycoluril7,8-DimethylglycolurilP9OC7CR7DSNSC-16614Imidazo(4,5-d)imidazole-2,5(1H,3H)-dione, tetrahydro-3a,6a-dimethyl-Tetrahydro-3a,6a-dimethylimidazo[4,5-d]imidazole-2,5(1H,3H)-dioneTETRAHYDRO-3A,6A-DIMETHYLIMIDAZO(4,5-D)IMIDAZOLE-2,5(1H,3H)-DIONERefChem:1099683Diacetyl diureaGLYCOLURIL, 3a,6a-DIMETHYL-
Show more names
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione,tetrahydro-3a,6a-dimethyl-
3a,6a-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione3a,6a-dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione68374-68-5rel-(3ar,6ar)-3a,6a-Dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dioneNSC 16614BRN 0141752NSC166143a,6a-Dimethylglycouril
Database identifiers
- CAS
28115-25-5- PubChem CID
- 34151
- DTXSID
DTXSID90182389- UNII
- P9OC7CR7DS
- Nikkaji
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 345 °C · 345 °C(Solv: water (7732-18-5))
- Boiling point
- 602.6 · 602.6±55.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 13.02 · 13.02±0.60(Predicted)
- FDA UNII
- 9 OC7CR7DS · P9OC7CR7DS
Chemistry & industry
Suppliers7 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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