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| CAS No.: | 852180-50-8 |
|---|---|
| Name: | ETHYL 4-METHYL-2-(N-BOC-PIPERIDIN-4-YL)THIAZOL-5-YL CARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C17H26N2O4S |
| Molecular Weight: | 354.46 |
| Synonyms: | tert-Butyl 4-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]tetrahydro-1(2H)-pyridinecarboxylate; |
| Density: | 1.172 g/cm3 |
| Melting Point: | 47 °C |
| Boiling Point: | 453.7 °C at 760 mmHg |
| Flash Point: | 228.2 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 96.97000 |
| LogP: | 3.68060 |
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- Total:4 Page 1 of 1 1
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Specification
The 1-Piperidinecarboxylicacid, 4-[4-methyl-5-(1-oxopropyl)-2-thiazolyl]-, 1,1-dimethylethyl ester has the CAS registry number 852180-50-8. This chemical's molecular formula is C17H26N2O4S and molecular weight is 354.46. What's more, its systematic name is tert-butyl 4-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate.
Physical properties of 1-Piperidinecarboxylicacid, 4-[4-methyl-5-(1-oxopropyl)-2-thiazolyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 3.4; (5)ACD/BCF (pH 5.5): 225.78; (6)ACD/BCF (pH 7.4): 225.83; (7)ACD/KOC (pH 5.5): 1684.04; (8)ACD/KOC (pH 7.4): 1684.4; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 96.97 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 93.59 cm3; (15)Molar Volume: 302.2 cm3; (16)Polarizability: 37.1×10-24cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.172 g/cm3; (19)Flash Point: 228.2 °C; (20)Enthalpy of Vaporization: 71.32 kJ/mol; (21)Boiling Point: 453.7 °C at 760 mmHg; (22)Vapour Pressure: 2.02E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2CCC(c1nc(c(s1)C(=O)OCC)C)CC2
(2)InChI: InChI=1S/C17H26N2O4S/c1-6-22-15(20)13-11(2)18-14(24-13)12-7-9-19(10-8-12)16(21)23-17(3,4)5/h12H,6-10H2,1-5H3
(3)InChIKey: YTFTXLAXZXXHPI-UHFFFAOYSA-N