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Xylazine
CAS: 7361-61-7 | C12H16N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7361-61-7
Molecular Formula:
C12H16N2S
Molecular Mass:
220.34 g/mol
Names and Synonyms:
Xylazine
4H-1,3-Thiazin-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro-
4H-1,3-Thiazine, 5,6-dihydro-2-(2,6-xylidino)-
N-(2,6-Dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
BAY 1470
Xylazine
2-(2,6-Dimethylphenylamino)-5,6-dihydro-4H-1,3-thiazine
Xylazin
Wh 7286
Primazine
Sedomin
Anased
Rometar
Xylazil
Xylaz
Cervizine 300
Identifiers:
SMILES:
Cc1cccc(C)c1NC1=NCCCS1
InChI:
InChI=1S/C12H16N2S/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)
Key Properties
Melting Point
140 °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 | 220.34 g/mol | CAS Common Chemistry |
| 220.34099999999998 g/mol | RDKit | |
| 220.103419512 g/mol | RDKit | |
| Canonical SMILES | N1=C(SCCC1)NC=2C(=CC=CC2C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H16N2S/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) | CAS Common Chemistry |
| InChI Key | InChIKey=BPICBUSOMSTKRF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 140 °C | CAS Common Chemistry |
| Name | Xylazine | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 3.2082400000000018 | RDKit |
| Molar Refractivity | 68.91570000000003 | RDKit |
