Basic information
- CAS
2757-85-9- Standard SMILES
CN1C(=O)C(=O)C(=O)N(C)C1=O- InChIKey
KUCNNTLJQCDKEI-UHFFFAOYSA-N- Molecular formula
- C6H6N2O4
- Average molar mass
- 170.12 g/mol
- Monoisotopic mass
- 170.03275668
Names & identifiers
- Preferred name
- 1,3-Dimethylalloxan
- IUPAC
- 1,3-dimethyl-1,3-diazinane-2,4,5,6-tetrone
- English name
- 1,3-dimethylalloxan
- Molecular formula
- C6H6N2O4
- Molecular weight
- 170.12
Names & synonyms
1,3-Dimethylalloxan2757-85-91,3-dimethyl-1,3-diazinane-2,4,5,6-tetroneNSC-73711,3-DIMETHYLPYRIMIDINE-2,4,5,6(1H,3H)-TETRAONEDimethylalloxanNSC7371EINECS 220-417-3Alloxan, 1,3-dimethyl-Y6YR3BT6HNSCHEMBL5305302,4,5,6(1H,3H)-Pyrimidinetetrone,1,3-dimethyl-
Show more names
2,4,5,6(1H,3H)-Pyrimidinetetrone, 1,3-dimethyl-
DTXSID30181972KUCNNTLJQCDKEI-UHFFFAOYSA-NNSC 7371MFCD00154761AT47284SY470928DS-003558NS00028327
Database identifiers
- CAS
2757-85-9- PubChem CID
- 75992
- DTXSID
DTXSID30181972- UNII
- Y6YR3BT6HN
- EC Number
- 220-417-3
- Nikkaji
- J83.279K
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 270
Experimental & physicochemical properties
LogP-0.57
Physicochemical properties
- FDA UNII
- 6 YR3BT6HN · Y6YR3BT6HN
Chemistry & industry
Suppliers1 total
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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