Basic information
- CAS
91334-03-1- Standard SMILES
CCOC(=O)C1CCC(C(=O)OCC)N1C- InChIKey
CXYVVNXQWYWPIL-UHFFFAOYSA-N- Molecular formula
- C11H19NO4
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.13140809
Names & identifiers
- Preferred name
- Diethyl 1-methylpyrrolidine-2,5-dicarboxylate
- IUPAC
- diethyl 1-methylpyrrolidine-2,5-dicarboxylate
- English name
- Diethyl 1-Methylpyrrolidine-2,5-dicarboxylate
- Molecular formula
- C11H19NO4
- Molecular weight
- 229.27
Names & synonyms
diethyl 1-methylpyrrolidine-2,5-dicarboxylate91334-03-1MFCD26406294NSC143949SCHEMBL1023246DTXSID30301517AC7227NSC-143949SY037201DS-010771CS-0457873Diethyl1-Methylpyrrolidine-2,5-dicarboxylate
Show more names
1-methyl-pyrrolidine-2,5-dicarboxylic acid diethyl ester2,5-Pyrrolidinedicarboxylic acid, 1-methyl-, 2,5-diethyl ester
2,5-DIETHYL 1-METHYLPYRROLIDINE-2,5-DICARBOXYLATE
Database identifiers
- CAS
91334-03-1- PubChem CID
- 286121
- DTXSID
DTXSID30301517
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 158 · 158-163 °C(Press: 23 Torr)
- Density
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- pka
- 6.66 · 6.66±0.60(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
Related reactions
1 records
Compound notes
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