Basic information
- CAS
89222-12-8- Standard SMILES
CCOC(=O)C(C(=O)OCC)N(C)C- InChIKey
CPWIKMBIQCYBKW-UHFFFAOYSA-N- Molecular formula
- C9H17NO4
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.11575802
Names & identifiers
- Preferred name
- Diethyl (dimethylamino)propanedioate
- IUPAC
- diethyl 2-(dimethylamino)propanedioate
- English name
- Diethyl 2-(dimethylamino)malonate
- Molecular formula
- C9H17NO4
- Molecular weight
- 203.24
Names & synonyms
89222-12-8DTXSID00384317Diethyl (dimethylamino)propanedioateRefChem:337703DTXCID20335341diethyl 2-(dimethylamino)malonatediethyl 2-(dimethylamino)propanedioate1,3-diethyl 2-(dimethylamino)propanedioateMFCD00110675DIETHYL2-(DIMETHYLAMINO)MALONATEdiethyl (dimethylamino)malonateSCHEMBL7692178
Show more names
Propanedioic acid, 2-(dimethylamino)-, 1,3-diethyl ester
diethyl (dimethylamino)-malonateCPWIKMBIQCYBKW-UHFFFAOYSA-NAKOS005071921BC-0821DB-030711CS-0364785
Database identifiers
- CAS
89222-12-8- PubChem CID
- 2801725
- DTXSID
DTXSID00384317
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 46 · 46-58°/0.1mm
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- pka
- 17 · 17.00±0.46(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
8 records
Compound notes
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