Basic information
- CAS
309935-84-0- Standard SMILES
O=C(O)CCN1C(=O)NC2NC(=O)NC21- InChIKey
VKJHKVYLLWVYJU-UHFFFAOYSA-N- Molecular formula
- C7H10N4O4
- Average molar mass
- 214.18 g/mol
- Monoisotopic mass
- 214.07020481
Names & identifiers
- Preferred name
- 3-(2,5-Dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)propanoic acid
- IUPAC
- 3-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)propanoic acid
- English name
- 3-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-PROPIONIC ACID
- Molecular formula
- C7H10N4O4
- Molecular weight
- 214.18
Names & synonyms
309935-84-03-(2,5-Dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)propanoic acid3-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)propanoic acid3-(2,5-dioxo-1,3,4,6,3a,6a-hexahydro-1,3,4,6-tetraazapentalenyl)propanoic acidOprea1_155186Oprea1_607069DTXSID40336850VKJHKVYLLWVYJU-UHFFFAOYSA-NImidazo[4,5-d]imidazole-1(2H)-propanoicacid, hexahydro-2,5-dioxo-SBB007384STK727125AKOS000300371
Show more names
TIMTEC-BB SBB007384Imidazo[4,5-d]imidazole-1(2H)-propanoic acid, hexahydro-2,5-dioxo-3-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-PROPIONIC ACID
AKOS021999805ST037175EU-0005461SR-01000437447SR-01000437447-13-(2,5-Dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)propanoic acid #3-(2,5-Dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)propanoicacidPropanoic acid, 3-(perhydro-2,5-dioxo-imidazo[4,5-d]imidazol-1-yl)-
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 819 · 819.0±65.0 °C(Predicted)
- Density
- 1.489 · 1.489±0.06 g/cm3(Predicted)
- pka
- 4.63 · 4.63±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers8 total
HONEST JOY HOLDINGS LIMITED[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]
TIMTEC-BB[email protected]
MATRIX[email protected]
CHEMCOLLECT[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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