Back to Search
Bucinnazine
CAS: 17719-89-0 | C17H24N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17719-89-0
Molecular Formula:
C17H24N2O
Molecular Mass:
272.39 g/mol
Names and Synonyms:
Bucinnazine
1-Butanone, 1-[4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]-
Piperazine, 1-butyryl-4-cinnamyl-
Piperazine, 1-(1-oxobutyl)-4-(3-phenyl-2-propenyl)-
1-[4-(3-Phenyl-2-propen-1-yl)-1-piperazinyl]-1-butanone
1-Butyryl-4-cinnamylpiperazine
Bucinnazine
Bucinperazine
Identifiers:
SMILES:
CCCC(=O)N1CCN(CC=Cc2ccccc2)CC1
InChI:
InChI=1S/C17H24N2O/c1-2-7-17(20)19-14-12-18(13-15-19)11-6-10-16-8-4-3-5-9-16/h3-6,8-10H,2,7,11-15H2,1H3
Key Properties
Boiling Point
184-185 °C @ Press: 0.19 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.39 g/mol | CAS Common Chemistry |
| 272.3920000000001 g/mol | RDKit | |
| 272.188863388 g/mol | RDKit | |
| Boiling Point | 184-185 °C @ Press: 0.19 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N1CCN(CC=CC=2C=CC=CC2)CC1)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C17H24N2O/c1-2-7-17(20)19-14-12-18(13-15-19)11-6-10-16-8-4-3-5-9-16/h3-6,8-10H,2,7,11-15H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZQBMUHABRSEAIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bucinnazine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.550000000000004 Ų | RDKit |
| LogP | 2.644100000000001 | RDKit |
| Molar Refractivity | 83.40400000000005 | RDKit |
