Basic information
- CAS
3149-25-5- Standard SMILES
Cc1nc2ccccc2n(C)c1=O- InChIKey
GRGDSEWMSMJHMU-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931294
Names & identifiers
- Preferred name
- 1,3-dimethylquinoxalin-2(1H)-one
- IUPAC
- 1,3-dimethylquinoxalin-2-one
- English name
- 1,3-Dimethyl-2-quinoxalinone
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
1,3-dimethylquinoxalin-2(1H)-one3149-25-51,3-dimethylquinoxalin-2-one1,3-DIMETHYL-2-QUINOXALINONE1,3-Dimethyl-1H-quinoxalin-2-one1,3-dimethyl-1,2-dihydroquinoxalin-2-one1,3-Dimethyl-2(1H)-quinoxalinoneF0914-11802(1H)-Quinoxalinone, 1,3-dimethyl-NSC5216831,3-dimethyl-2-oxoquinoxalineCHEMBL348474
Show more names
1,3-Dimethylquinoxaline-2(1H)-one
SCHEMBL3978504SCHEMBL30868870DTXSID70325898HMS1652A13SMSSF-0613178STK327681AKOS0012645551,3-Dimethyl-2(1H)-quinoxalinone #
Database identifiers
- CAS
3149-25-5- PubChem CID
- 351422
- DTXSID
DTXSID70325898- ChEMBL
CHEMBL348474- Nikkaji
- J1.410.178K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 86 · 86-87 °C
- Boiling point
- 303 · 303.0±25.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 0.21 · 0.21±0.70(Predicted)
Chemistry & industry
Suppliers19 total
云南苏理生物医药科技有限公司0871-68355600 18787766125
扬州思域化工有限公司0514-87325867 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
12 records
Compound notes
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