Back to Search
2,3-Dichlorophenylpiperazine
CAS: 41202-77-1 | C10H12Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41202-77-1
Molecular Formula:
C10H12Cl2N2
Molecular Mass:
231.13 g/mol
Names and Synonyms:
2,3-Dichlorophenylpiperazine
Piperazine, 1-(2,3-dichlorophenyl)-
1-(2,3-Dichlorophenyl)piperazine
N-(2,3-Dichlorophenyl)piperazine
4-(2,3-Dichlorophenyl)piperazine
DCPP
Identifiers:
SMILES:
Clc1cccc(N2CCNCC2)c1Cl
InChI:
InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2
Key Properties
Boiling Point
128-130 °C @ Press: 0.5 Torr
CAS Common Chemistry
Melting Point
239-242 °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 | 231.13 g/mol | CAS Common Chemistry |
| 231.12599999999998 g/mol | RDKit | |
| 230.03775374399999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,3-Dichlorophenylpiperazine | CAS Common Chemistry |
| Boiling Point | 128-130 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=CC(=C1Cl)N2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UDQMXYJSNNCRAS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 239-242 °C | CAS Common Chemistry |
| Name | 1-(2,3-Dichlorophenyl)piperazine | CAS Common Chemistry |
| 2,3-Dichlorophenylpiperazine | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 2.4030000000000005 | RDKit |
| Molar Refractivity | 61.54470000000003 | RDKit |
