Basic information
- CAS
30885-95-1- Standard SMILES
COc1nc(=O)[nH]c(=O)[nH]1- InChIKey
SNULTPQANPFFQH-UHFFFAOYSA-N- Molecular formula
- C4H5N3O3
- Average molar mass
- 143.1 g/mol
- Monoisotopic mass
- 143.03309103
Names & identifiers
- Preferred name
- 6-Methoxy-s-triazine-2,4(1H,3H)-dione
- IUPAC
- 6-methoxy-1H-1,3,5-triazine-2,4-dione
- English name
- 1,3,5-Triazine-2,4(1H,3H)-dione, 6-methoxy-
- Molecular formula
- C4H5N3O3
- Molecular weight
- 143.1
Names & synonyms
30885-95-1methylcyanurate6-Methoxy-s-triazine-2,4(1H,3H)-dione6-methoxy-1,3,5-triazine-2,4(1H,3H)-dioneSCHEMBL192561DTXSID002753376-Methoxy-1,3,5-Triazine-2,4-DiolLamotrigine Impurity 371,3,5-Triazine-2,4(1H,3H)-dione, 6-methoxy-
Database identifiers
- CAS
30885-95-1- PubChem CID
- 35596
- DTXSID
DTXSID00275337- Nikkaji
- J1.615.334F
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 130 · 130-132 °C
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- pka
- 5.4 · 5.40±0.70(Predicted)
Chemistry & industry
Suppliers6 total
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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