Basic information
- CAS
50419-23-3- Standard SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCN(C=O)CC1- InChIKey
GALUSNJMTJRBLT-UHFFFAOYSA-N- Molecular formula
- C20H34N2O
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.26711371
Names & identifiers
- Preferred name
- Piperazine, 1-formyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
- IUPAC
- 4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-1-carbaldehyde
- English name
- 4-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1-piperazinecarbaldehyde
- Molecular formula
- C20H34N2O
- Molecular weight
- 318.5
Names & synonyms
50419-23-3Piperazine, 1-formyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-RefChem:10960084-Farnesyl-1-formylpiperazine4-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1-piperazinecarbaldehyde1-Formyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)piperazine1-formyl-4-(3,7,11-trimethyl-dodeca-2,6,10-trienyl)-piperazine1-Piperazinecarboxaldehyde, 4-(3,7,11-trimethyl-2,6,10-dodecatrien-1-yl)-
Database identifiers
- CAS
50419-23-3- PubChem CID
- 6445848
- Nikkaji
- J117.895D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Boiling point
- 455.4 · 455.4±45.0 °C(Predicted)
- Density
- 0.972 · 0.972±0.06 g/cm3(Predicted)
- pka
- 6.76 · 6.76±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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