Back to Search
Molecule
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
Identifiers
CAS Registry Number
23076-35-9
SMILES
Cc1cccc(C)c1NC1=NCCCS1.Cl
InChI Key
QYEFBJRXKKSABU-UHFFFAOYSA-N
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
Names and Synonyms
- Xylazine Hydrochloride Common Name
- 4H-1,3-Thiazin-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro-, hydrochloride (1:1) Synonym
- 4H-1,3-Thiazine, 5,6-dihydro-2-(2,6-xylidino)-, monohydrochloride Synonym
- 4H-1,3-Thiazin-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro-, monohydrochloride Synonym
- Xylazine hydrochloride Synonym
- 5,6-Dihydro-2-(2,6-xylidino)-4H-1,3-thiazine hydrochloride Synonym
- BAY-Va 1470 Synonym
- Rompun Synonym
- BAY 1470 hydrochloride Synonym
- Celactal Synonym
- Xylazine chloride Synonym
- Narcosyl Synonym
- Xylapan Synonym
- Xylasol Synonym
- Xylaxin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.80 g/mol | CAS Common Chemistry |
| 256.80199999999996 g/mol | RDKit | |
| 256.802 g/mol | RDKit | |
| 256.792 g/mol | chempirical lib | |
| 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 |
| 3.63 | RDKit | |
| 3.76 | chempirical lib | |
| Molar Refractivity | 76.16370000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4167 | RDKit |
| 0.42 | chempirical lib | |
| Exact Mass | 256.080097224 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 = 256.80 g/mol. Edit any field — others recompute live.
