Basic information
- CAS
42794-72-9- Standard SMILES
CNC(=O)N(C)C1NC(=O)N(C)C1=O- InChIKey
SUPBSHBVIKDGQN-UHFFFAOYSA-N- Molecular formula
- C7H12N4O3
- Average molar mass
- 200.2 g/mol
- Monoisotopic mass
- 200.09094026
Overview
3,6,8-Trimethylallantoin is an imidazolidine-2,4-dione.
Names & identifiers
- Preferred name
- 3,6,8-Trimethylallantoin
- IUPAC
- 1,3-dimethyl-1-(1-methyl-2,5-dioxoimidazolidin-4-yl)urea
Names & synonyms
3,6,8-Trimethylallantoin42794-72-9IO4G66C3CTUNII-IO4G66C3CT1,3-dimethyl-1-(1-methyl-2,5-dioxo-4-imidazolidinyl)ureaN,N'-DIMETHYL-N'-(1-METHYL-2,5-DIOXO-4-IMIDAZOLIDINYL)UREAUREA, N,N'-DIMETHYL-N-(1-METHYL-2,5-DIOXO-4-IMIDAZOLIDINYL)-UREA, N,N'-DIMETHYL-N'-(1-METHYL-2,5-DIOXO-4-IMIDAZOLIDINYL)-RefChem:916631,3-dimethyl-1-(1-methyl-2,5-dioxoimidazolidin-4-yl)ureaSCHEMBL31429813CHEBI:80471
Show more names
DTXSID30962703Q27149522N-(2-Hydroxy-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-N,N'-dimethylcarbamimidic acid
Database identifiers
- CAS
42794-72-9- PubChem CID
- 181740
- DTXSID
DTXSID30962703- ChEBI
CHEBI:80471- UNII
- IO4G66C3CT
- Nikkaji
- J2.802.445B
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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