Basic information
- CAS
4523-63-1- Standard SMILES
CN1C(=O)N(C)C2NC(=O)NC21- InChIKey
NVMPHBRFTZFQPS-UHFFFAOYSA-N- Molecular formula
- C6H10N4O2
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.08037557
Names & identifiers
- Preferred name
- 1,3-Dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
- IUPAC
- 4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
- English name
- 1,3-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
- Molecular formula
- C6H10N4O2
- Molecular weight
- 170.17
Names & synonyms
1,3-Dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione4523-63-11,3-dimethyl-octahydroimidazo[4,5-d]imidazolidine-2,5-dione1,3-dimethyl-1,3,4,6,3a,6a-hexahydro-1,3,4,6-tetraazapentalene-2,5-dioneGlycoluril, 1,3-dimethyl-Oprea1_289322Oprea1_756486SCHEMBL983171NVMPHBRFTZFQPS-UHFFFAOYSA-NCCG-2484STK044574AKOS000487391
Show more names
Tetrahydro-1,3-dimethylimidazo[4,5-d]imidazole-2,5(1H,3H)-dioneImidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3-dimethyl-
AKOS016352182SDCCGMLS-0064775.P001ST011902EU-0011672AG-690/11960382SR-01000493639SR-01000493639-11,3-DIMETHYL-TETRAHYDRO-IMIDAZO(4,5-D)IMIDAZOLE-2,5-DIONE
Database identifiers
- CAS
4523-63-1- PubChem CID
- 535784
- EC Number
- 163-709-5
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 254 · 254-256 °C
- Boiling point
- 492.6 · 492.6±45.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- pka
- 13.84 · 13.84±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…