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Clonidine Hydrochloride
CAS: 4205-91-8 | C9H10Cl3N3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
4205-91-8
Molecular Formula:
C9H10Cl3N3
Molecular Mass:
266.56 g/mol
Names and Synonyms:
Clonidine Hydrochloride
1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-, hydrochloride (1:1)
2-Imidazoline, 2-(2,6-dichloroanilino)-, monohydrochloride
1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-, monohydrochloride
Catapressan
Catapres
Clonidine hydrochloride
ST 155
2-[(2,6-Dichlorophenyl)amino]-2-imidazoline monohydrochloride
Haemiton
Chlophazolin
2-[(2,6-Dichlorophenyl)amino]-2-imidazoline hydrochloride
Katapresan
Clonidine chloride
Atensina
Capresin
DCAI
Hemiton
Normopresan
Clonidine monohydrochloride
Clofelin
Isoglaucon
2-(2,6-Dichloroanilino)-2-imidazoline hydrochloride
Neuclon
Clopheline
KAPVAY
Dichloranilino imidazolin
Identifiers:
SMILES:
Cl.Clc1cccc(Cl)c1NC1=NCCN1
InChI:
InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H
Key Properties
Melting Point
305 °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 | 266.56 g/mol | CAS Common Chemistry |
| 266.55899999999997 g/mol | RDKit | |
| 264.99403036 g/mol | RDKit | |
| Canonical SMILES | Cl.ClC1=CC=CC(Cl)=C1NC2=NCCN2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZNIFSRGNXRYGHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 305 °C | CAS Common Chemistry |
| Name | Clonidine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 36.42 Ų | RDKit |
| LogP | 2.7863000000000007 | RDKit |
| Molar Refractivity | 67.63740000000001 | RDKit |
