Back to Search
Molecule
Clonidine Hydrochloride
CAS: 4205-91-8 · C9H10Cl3N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4205-91-8
- Molecular Formula
- C9H10Cl3N3
- Molecular Mass
- 266.56 g/mol
Identifiers
CAS Registry Number
4205-91-8
SMILES
Cl.Clc1cccc(Cl)c1NC1=NCCN1
InChI Key
ZNIFSRGNXRYGHF-UHFFFAOYSA-N
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
Names and Synonyms
- Clonidine Hydrochloride Common Name
- 1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-, hydrochloride (1:1) Synonym
- 2-Imidazoline, 2-(2,6-dichloroanilino)-, monohydrochloride Synonym
- 1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-, monohydrochloride Synonym
- Catapressan Synonym
- Catapres Synonym
- Clonidine hydrochloride Synonym
- ST 155 Synonym
- 2-[(2,6-Dichlorophenyl)amino]-2-imidazoline monohydrochloride Synonym
- Haemiton Synonym
- Chlophazolin Synonym
- 2-[(2,6-Dichlorophenyl)amino]-2-imidazoline hydrochloride Synonym
- Katapresan Synonym
- Clonidine chloride Synonym
- Atensina Synonym
- Capresin Synonym
- DCAI Synonym
- Hemiton Synonym
- Normopresan Synonym
- Clonidine monohydrochloride Synonym
- Clofelin Synonym
- Isoglaucon Synonym
- 2-(2,6-Dichloroanilino)-2-imidazoline hydrochloride Synonym
- Neuclon Synonym
- Clopheline Synonym
- KAPVAY Synonym
- Dichloranilino imidazolin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.56 g/mol | CAS Common Chemistry |
| 266.55899999999997 g/mol | RDKit | |
| 266.559 g/mol | RDKit | |
| 266.55 g/mol | chempirical lib | |
| 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 |
| 2.7863 | RDKit | |
| 2.76 | chempirical lib | |
| Molar Refractivity | 67.63740000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 264.99403036 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 = 266.56 g/mol. Edit any field — others recompute live.
