Basic information
- CAS
5440-46-0- Standard SMILES
CCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC- InChIKey
OJVZASWEPKHPDA-UHFFFAOYSA-N- Molecular formula
- C14H25NO5
- Average molar mass
- 287.35 g/mol
- Monoisotopic mass
- 287.1732729
Names & identifiers
- Preferred name
- Diethyl(acetylamino)(pentyl)propanedioate
- IUPAC
- diethyl 2-acetamido-2-pentylpropanedioate
- English name
- diethyl 2-acetamido-2-pentyl-propanedioate
- Molecular formula
- C14H25NO5
- Molecular weight
- 287.35
Names & synonyms
5440-46-0diethyl(acetylamino)(pentyl)propanedioateNSC20170DTXSID20281112NSC-20170Diethyl acetamido(pentyl)propanedioatediethyl 2-acetamido-2-pentyl-propanedioatePropanedioic acid, 2-(acetylamino)-2-pentyl-, 1,3-diethyl ester
Database identifiers
- CAS
5440-46-0- PubChem CID
- 227948
- DTXSID
DTXSID20281112
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 43 · 43-45 °C
- Boiling point
- 384.4 · 384.4±22.0 °C(Predicted)
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- pka
- 12.26 · 12.26±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…