Basic information
- CAS
4401-71-2- Standard SMILES
Cc1cn(C)c(=O)n(C)c1=O- InChIKey
BHWQEVXICGSHEW-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Names & identifiers
- Preferred name
- N,N-Dimethylthymine
- IUPAC
- 1,3,5-trimethylpyrimidine-2,4-dione
- English name
- 1,3-Dimethylthymine
- Molecular formula
- C7H10N2O2
- Molecular weight
- 154.17
Names & synonyms
1,3-Dimethylthymine4401-71-2N,N-DimethylthymineDTXSID60196014RefChem:161327DTXCID701185051,3,5-trimethylpyrimidine-2,4(1H,3H)-dione1,3,5-trimethylpyrimidine-2,4-dioneUracil, 1,3,5-trimethyl-MFCD001547632,4(1H,3H)-Pyrimidinedione, 1,3,5-trimethyl-1,3,5-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Show more names
1,3,5-trimethyl-2,4-pyrimidinedione1,3,5-trimethylpyrimidine-2,4-quinone1,3,5-Trimethylpyrimidine-2,4(1H,4H)-dione
1,3,5-Trimethyl-2,4(1H,3H)-pyrimidinedione2,4(1H,3H)-Pyrimidinedione,1,3,5-trimethyl-1,3,5-trimethyluracilMLS000766715SCHEMBL615152CHEMBL1698332SCHEMBL10814647HMS2267P10
Database identifiers
- CAS
4401-71-2- PubChem CID
- 78112
- DTXSID
DTXSID60196014- ChEMBL
CHEMBL1698332- Nikkaji
- J100.180I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 153 °C · 153 °C
- Boiling point
- 222.1 · 222.1±23.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2 · -2.00±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers19 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
常州琦诺生物科技有限公司0519-0519-83812535 · [email protected]
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海昶尔医药科技有限公司15921595598;15921595598 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
1 records
Compound notes
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