Basic information
- CAS
6137-09-3- Standard SMILES
CCCCC(CC)C(C)=O- InChIKey
PPKSOKLRYCVQPM-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 3-Ethyl-2-heptanone
- IUPAC
- 3-ethylheptan-2-one
- English name
- 3-Ethyl-2-heptanone
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
3-Ethylheptan-2-one3-Ethyl-2-heptanone6137-09-3DTXSID30976906RefChem:1067751DTXCID101404272228-114-8EINECS 228-114-8Sodium Valproate Impurity 35SCHEMBL3164400SCHEMBL6364713SCHEMBL9142874
Show more names
2-Heptanone, 3-ethyl-3-ethyl-2heptanone (sodium valproate impurity 1)
PPKSOKLRYCVQPM-UHFFFAOYSA-NAKOS010226770NS00044782G68074
Database identifiers
- CAS
6137-09-3- PubChem CID
- 110786
- DTXSID
DTXSID30976906- EC Number
- 228-114-8
- Nikkaji
- J227.320I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 96.9
Physicochemical properties
- Melting point
- 91 · 91-92 °C(Solv: ethanol (64-17-5))
- Boiling point
- 63 · 63-64 °C(Press: 9 Torr)
- Density
- 0.8318 g/cm3 · 0.8318 g/cm3
Chemistry & industry
Suppliers16 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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