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1-(4-Chlorophenyl)Piperazine
CAS: 38212-33-8 | C10H13ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38212-33-8
Molecular Formula:
C10H13ClN2
Molecular Mass:
196.68 g/mol
Names and Synonyms:
1-(4-Chlorophenyl)Piperazine
Piperazine, 1-(4-chlorophenyl)-
Piperazine, 1-(p-chlorophenyl)-
1-(4-Chlorophenyl)piperazine
1-(p-Chlorophenyl)piperazine
N-(p-Chlorophenyl)piperazine
4-(4-Chlorophenyl)piperazine
N-(4-Chlorophenyl)piperazine
p-Chlorophenylpiperazine
NSC 126708
N-(4-Chloroophenyl)piperazine
Identifiers:
SMILES:
Clc1ccc(N2CCNCC2)cc1
InChI:
InChI=1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
Key Properties
Boiling Point
155.7-157.2 °C @ Press: 5 Torr
CAS Common Chemistry
Melting Point
71.5-73.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 | 196.68 g/mol | CAS Common Chemistry |
| 196.68099999999998 g/mol | RDKit | |
| 196.076726096 g/mol | RDKit | |
| Boiling Point | 155.7-157.2 °C @ Press: 5 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C1)N2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UNEIHNMKASENIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 71.5-73.5 °C | CAS Common Chemistry |
| Name | 1-(4-Chlorophenyl)piperazine | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 1.7495999999999998 | RDKit |
| Molar Refractivity | 56.53470000000003 | RDKit |
