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| Name |
4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine |
EINECS | N/A |
| CAS No. | 55477-27-5 | Density | 1.37g/cm3 |
| PSA | 93.05000 | LogP | 0.43270 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H20ClN5OS | Boiling Point | 514.6°Cat760mmHg |
| Molecular Weight | 317.88 | Flash Point | 265°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine Chemical Properties
Product Name: 4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine (CAS NO.55477-27-5)
Molecular Formula: C12H20ClN5OS
Molecular Weight: 317.88g/mol
Mol File: 55477-27-5.mol
Boiling point: 514.6 °C at 760 mmHg
Flash Point: 265 °C
Density: 1.37 g/cm3
Surface Tension: 71 dyne/cm
Enthalpy of Vaporization: 82.79 kJ/mol
Vapour Pressure: 2.04E-11 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 2
H-Bond Acceptor: 6
Structure Descriptors of 4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine (CAS NO.55477-27-5):
IUPAC Name: 2-[4-[6-Chloro-2-(methylamino)-5-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
Canonical SMILES: CNC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)CCO
InChI: InChI=1S/C12H20ClN5OS/c1-14-12-15-10(13)9(20-2)11(16-12)18-5-3-17(4-6-18)7-8-19/h19H,3-8H2,1-2H3,(H,14,15,16)
InChIKey: RGXCCTUBFMDKJO-UHFFFAOYSA-N
4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 124mg/kg (124mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975. | |
| mouse | LD50 | oral | 525mg/kg (525mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975. |
4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine Safety Profile
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.
4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine Specification
4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine , its CAS NO. is 55477-27-5, the synonyms are 2-Methylamino-4-N-(beta-hydroxyethyl)-piperazino-6-chloro-5-methylthio-pyrimidine ; 5-25-12-00572 (Beilstein Handbook Reference) ; BRN 0891476 ; Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio .
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