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Clonidine
CAS: 4205-90-7 | C9H9Cl2N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4205-90-7
Molecular Formula:
C9H9Cl2N3
Molecular Mass:
230.10 g/mol
Names and Synonyms:
Clonidine
1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-
2-Imidazoline, 2-(2,6-dichloroanilino)-
N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
734571A
Clonidine
Clonidin
2-(2,6-Dichloroanilino)-2-imidazoline
2-(2,6-Dichlorophenylimino)imidazolidine
M 5041T
SKF 34427
Catapres-TTS
ST 155BS
2-(2,6-Dichlorophenylamino)-1,3-diazacyclopentene
Duraclon
Arkamin
(2,6-Dichloro-phenyl)-(4,5-dihydro-1H-imidazol-2-yl)-amine
(2,6-Dichloro-phenyl)-imidazolidin-2-ylidene-amine
2-[(2,6-Dichlorophenyl)amino]-2-imidazoline
Identifiers:
SMILES:
Clc1cccc(Cl)c1NC1=NCCN1
InChI:
InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
Key Properties
Melting Point
130 °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 | 230.10 g/mol | CAS Common Chemistry |
| 230.09799999999998 g/mol | RDKit | |
| 229.01735264799999 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=CC(Cl)=C1NC2=NCCN2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=GJSURZIOUXUGAL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 130 °C | CAS Common Chemistry |
| Name | Clonidine | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 2.3644999999999996 | RDKit |
| Molar Refractivity | 60.38940000000001 | RDKit |
