Basic information
- CAS
20279-38-3- Standard SMILES
CC(C)OC(=O)CCC(=O)O- InChIKey
RGMSBDCQLRJNSH-UHFFFAOYSA-N- Molecular formula
- C7H12O4
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.07355886
Names & identifiers
- Preferred name
- Succinic acid monoisopropyl ester
- IUPAC
- 4-oxo-4-propan-2-yloxybutanoic acid
- English name
- Succinic acid mono isopropyl ester
- Molecular formula
- C7H12O4
- Molecular weight
- 160.17
Names & synonyms
20279-38-3Succinic acid monoisopropyl esterDTXSID80275678RefChem:1099126DTXCID602270944-ISOPROPOXY-4-OXOBUTANOIC ACIDSuccinic acid mono isopropyl ester4-oxo-4-propan-2-yloxybutanoic acidmonoisopropyl succinatestarbld0016684SCHEMBL191308SCHEMBL17654221
Show more names
Butanedioic acid, 1-(1-methylethyl) ester
AKOS0062750574-Oxo-4-[(propan-2-yl)oxy]butanoic acidDB-045147E87985
Database identifiers
- CAS
20279-38-3- PubChem CID
- 62056
- DTXSID
DTXSID80275678- Nikkaji
- J792.197G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 121 · 121-123 °C(Press: 1 Torr)
- Density
- 1.0523 g/cm3 · 1.0523 g/cm3
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Low-Melting Solid
- pka
- 4.55 · 4.55±0.17(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesMonoisopropyl Succinate is used in preparation of prodrugs of ketamine for treating or preventing a CNS diseases.
Suppliers14 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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