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Xylazine Hydrochloride
CAS: 23076-35-9 | C12H17ClN2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23076-35-9
Molecular Formula:
C12H17ClN2S
Molecular Mass:
256.80 g/mol
Names and Synonyms:
Xylazine Hydrochloride
4H-1,3-Thiazin-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro-, hydrochloride (1:1)
4H-1,3-Thiazine, 5,6-dihydro-2-(2,6-xylidino)-, monohydrochloride
4H-1,3-Thiazin-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro-, monohydrochloride
Xylazine hydrochloride
5,6-Dihydro-2-(2,6-xylidino)-4H-1,3-thiazine hydrochloride
BAY-Va 1470
Rompun
BAY 1470 hydrochloride
Celactal
Xylazine chloride
Narcosyl
Xylapan
Xylasol
Xylaxin
Identifiers:
SMILES:
Cc1cccc(C)c1NC1=NCCCS1.Cl
InChI:
InChI=1S/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H
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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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 | 256.80 g/mol | CAS Common Chemistry |
| 256.80199999999996 g/mol | RDKit | |
| 256.080097224 g/mol | RDKit | |
| Canonical SMILES | Cl.N1=C(SCCC1)NC=2C(=CC=CC2C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H | CAS Common Chemistry |
| InChI Key | InChIKey=QYEFBJRXKKSABU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Xylazine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 24.39 Ų | RDKit |
| LogP | 3.6300400000000024 | RDKit |
| Molar Refractivity | 76.16370000000002 | RDKit |
