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1-Piperidinecarboxylicacid, 4-[4-methyl-5-(1-oxopropyl)-2-thiazolyl]-, 1,1-dimethylethyl ester

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Name

1-Piperidinecarboxylicacid, 4-[4-methyl-5-(1-oxopropyl)-2-thiazolyl]-, 1,1-dimethylethyl ester

EINECS N/A
CAS No. 852180-50-8 Density 1.172 g/cm3
PSA 96.97000 LogP 3.68060
Solubility N/A Melting Point 47 °C
Formula C17H26N2O4S Boiling Point 453.7 °C at 760 mmHg
Molecular Weight 354.46 Flash Point 228.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 852180-50-8 (ETHYL 4-METHYL-2-(N-BOC-PIPERIDIN-4-YL)THIAZOL-5-YL CARBOXYLATE) Hazard Symbols N/A
Synonyms

tert-Butyl 4-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]tetrahydro-1(2H)-pyridinecarboxylate;

 

1-Piperidinecarboxylicacid, 4-[4-methyl-5-(1-oxopropyl)-2-thiazolyl]-, 1,1-dimethylethyl ester 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

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