Basic information
- CAS
5469-03-4- Standard SMILES
CCN(CC)C(=O)CCC1CCCCC1- InChIKey
QAXBHPWVNOVJNJ-UHFFFAOYSA-N- Molecular formula
- C13H25NO
- Average molar mass
- 211.34 g/mol
- Monoisotopic mass
- 211.19361442
Names & identifiers
- Preferred name
- N,N-Diethylcyclohexanepropanamide
- IUPAC
- 3-cyclohexyl-N,N-diethylpropanamide
- English name
- N,N-diethylcyclohexanepropanamide
- Molecular formula
- C13H25NO
- Molecular weight
- 211.34
Names & synonyms
N,N-Diethylcyclohexanepropanamide5469-03-4Cyclohexanepropanamide, N,N-diethyl-N,N-DcpNSC-15708GFS87G8XH4DTXSID30203143RefChem:926473DTXCID301256343-Cyclohexyl-N,N-diethylpropanamideSCHEMBL8496044QAXBHPWVNOVJNJ-UHFFFAOYSA-N
Show more names
NSC15708NSC 15708STK417554Cyclohexanepropionamide, N,N-diethyl-3-Cyclohexyl-N,N-diethyl-propionamideAKOS0032846673-Cyclohexyl-N,N-diethylpropanamide #ST50925410
Database identifiers
- CAS
5469-03-4- PubChem CID
- 95064
- DTXSID
DTXSID30203143- UNII
- GFS87G8XH4
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 313.4 · 313.4±11.0 °C(Predicted)
- Density
- 0.915 · 0.915±0.06 g/cm3(Predicted)
- pka
- -0.43 · -0.43±0.70(Predicted)
- FDA UNII
- 87 G8XH4 · GFS87G8XH4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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