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(±)-Dropropizine
CAS: 17692-31-8 | C13H20N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17692-31-8
Molecular Formula:
C13H20N2O2
Molecular Mass:
236.32 g/mol
Names and Synonyms:
(±)-Dropropizine
1,2-Propanediol, 3-(4-phenyl-1-piperazinyl)-
3-(4-Phenyl-1-piperazinyl)-1,2-propanediol
Dropropizine
Dopropizin
Larylin
Catabex
Katril
Ribex
Tussilex
U.C.B. 1967
Ditustat
(±)-Dropropizine
Identifiers:
SMILES:
OCC(O)CN1CCN(c2ccccc2)CC1
InChI:
InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2
Key Properties
Boiling Point
205 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
105 °C
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 | 236.32 g/mol | CAS Common Chemistry |
| 236.31500000000003 g/mol | RDKit | |
| 236.15247788 g/mol | RDKit | |
| Boiling Point | 205 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC(O)CN1CCN(C=2C=CC=CC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PTVWPYVOOKLBCG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105 °C | CAS Common Chemistry |
| Name | (±)-Dropropizine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.940000000000005 Ų | RDKit |
| LogP | 0.16179999999999972 | RDKit |
| Molar Refractivity | 68.18760000000005 | RDKit |
