Back to Search
Molecule
Piperazine, 1-(2-Chlorophenyl)-, Hydrochloride (1:1)
CAS: 41202-32-8 · C10H14Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 41202-32-8
- Molecular Formula
- C10H14Cl2N2
- Molecular Mass
- 233.14 g/mol
Identifiers
CAS Registry Number
41202-32-8
SMILES
Cl.Clc1ccccc1N1CCNCC1
InChI Key
GUTWDZXWTKMXPI-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
Names and Synonyms
- Piperazine, 1-(2-Chlorophenyl)-, Hydrochloride (1:1) Systematic Name
- Piperazine, 1-(2-chlorophenyl)-, hydrochloride (1:1) Synonym
- Piperazine, 1-(2-chlorophenyl)-, monohydrochloride Synonym
- N-(2-Chlorophenyl)piperazine monohydrochloride Synonym
- 1-(2-Chlorophenyl)piperazine monohydrochloride Synonym
- 1-4-(2-Chlorophenyl)piperazine monohydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 233.14 g/mol | CAS Common Chemistry |
| 233.14199999999997 g/mol | RDKit | |
| 233.142 g/mol | RDKit | |
| 233.136 g/mol | chempirical lib | |
| Canonical SMILES | Cl.ClC=1C=CC=CC1N2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13ClN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=GUTWDZXWTKMXPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Piperazine, 1-(2-chlorophenyl)-, hydrochloride (1:1) | 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 |
| 15.04 Ų | chempirical lib | |
| LogP | 2.1714 | RDKit |
| Molar Refractivity | 63.78270000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 232.05340380799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 233.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14Cl2N2.
