Basic information
- CAS
6946-72-1- Standard SMILES
CCCOC(=O)CCC(=O)N(CCC)CCC- InChIKey
QYPCSIWAKGGAFC-UHFFFAOYSA-N- Molecular formula
- C13H25NO3
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.18344366
Names & identifiers
- Preferred name
- Propyl 4-(dipropylamino)-4-oxobutanoate
- IUPAC
- propyl 4-(dipropylamino)-4-oxobutanoate
Names & synonyms
6946-72-1propyl 4-(dipropylamino)-4-oxobutanoateNSC57354Butanoic acid,4-(dipropylamino)-4-oxo-, propyl esterDTXSID00989361NSC-57354DS-010607
Database identifiers
- CAS
6946-72-1- PubChem CID
- 245404
- DTXSID
DTXSID00989361
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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