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Cas Database |
| Name |
4-(2-Thiazolyl)piperazinyl 3,4,5-trimethoxyphenyl ketone |
EINECS | N/A |
| CAS No. | 17766-79-9 | Density | 1.277g/cm3 |
| PSA | 92.37000 | LogP | 2.13420 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H21N3O4S | Boiling Point | 562.6°Cat760mmHg |
| Molecular Weight | 363.437 | Flash Point | 294.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Article Data | 1 |
4-(2-Thiazolyl)piperazinyl 3,4,5-trimethoxyphenyl ketone Chemical Properties
Product Name: 4-(2-Thiazolyl)piperazinyl 3,4,5-trimethoxyphenyl ketone (CAS NO.17766-79-9)
Molecular Formula: C17H21N3O4S
Molecular Weight: 363.47g/mol
Mol File: 17766-79-9.mol
Boiling point: 562.6 °C at 760 mmHg
Flash Point: 294.1 °C
Density: 1.277 g/cm3
Surface Tension: 51.5 dyne/cm
Enthalpy of Vaporization: 84.58 kJ/mol
Vapour Pressure: 1.1E-12 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of 4-(2-Thiazolyl)piperazinyl 3,4,5-trimethoxyphenyl ketone (CAS NO.17766-79-9):
IUPAC Name: [4-(1,3-Thiazol-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=NC=CS3
InChI: InChI=1S/C17H21N3O4S/c1-22-13-10-12(11-14(23-2)15(13)24-3)16(21)19-5-7-20(8-6-19)17-18-4-9-25-17/h4,9-11H,5-8H2,1-3H3
InChIKey: KGVWLYQGSGWMFD-UHFFFAOYSA-N
4-(2-Thiazolyl)piperazinyl 3,4,5-trimethoxyphenyl ketone Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Journal of Medicinal Chemistry. Vol. 11, Pg. 332, 1968. |
4-(2-Thiazolyl)piperazinyl 3,4,5-trimethoxyphenyl ketone Safety Profile
Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and SOx.
4-(2-Thiazolyl)piperazinyl 3,4,5-trimethoxyphenyl ketone Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
4-(2-Thiazolyl)piperazinyl 3,4,5-trimethoxyphenyl ketone Specification
4-(2-Thiazolyl)piperazinyl 3,4,5-trimethoxyphenyl ketone , its CAS NO. is 17766-79-9, the synonyms are 1-(2-Thiazolyl)-4-(3,4,5-trimethoxybenzoyl)piperazine ; BRN 1602266 ; Piperazine, 1-(2-thiazolyl)-4-(3,4,5-trimethoxybenzoyl)- ; Ketone, 4-(2-thiazolyl)piperazinyl 3,4,5-trimethoxyphenyl .
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