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Di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

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Name

Di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

EINECS N/A
CAS No. 55536-71-5 Density 1.047 g/cm3
PSA 64.63000 LogP 3.53990
Solubility N/A Melting Point 142-149 °C
Formula C17H27NO4 Boiling Point 389.9 °C at 760 mmHg
Molecular Weight 309.4 Flash Point 189.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R22
Molecular Structure Molecular Structure of 55536-71-5 (DI-TERT-BUTYL 2 6-DIMETHYL-1 4-DIHYDROP&) Hazard Symbols
Synonyms

DI-TERT-BUTYL 2 6-DIMETHYL-1 4-DIHYDROP&;

Article Data 14

Di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Specification

The Di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate with its cas register number is 55536-71-5. It also can be called as 2,6-Dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid di-tert-butyl ester and the Systematic name about this chemical is di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate. It belongs to the Heterocyclic Compounds. This chemical is harmful if swallowed. 

Physical properties about Di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate are: (1)ACD/LogP: 3.91; (2)ACD/LogD (pH 5.5): 3.91; (3)ACD/LogD (pH 7.4): 3.91; (4)ACD/BCF (pH 5.5): 546.57; (5)ACD/BCF (pH 7.4): 550.3; (6)ACD/KOC (pH 5.5): 3164.92; (7)ACD/KOC (pH 7.4): 3186.48; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.84Å2; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 84.64 cm3; (14)Molar Volume: 295.3 cm3; (15)Polarizability: 33.55x10-24cm3; (16)Surface Tension: 34 dyne/cm; (17)Enthalpy of Vaporization: 63.93 kJ/mol; (18)Vapour Pressure: 2.75E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)/C1=C(/N\C(=C(\C(=O)OC(C)(C)C)C1)C)
(2)InChI: InChI=1/C17H27NO4/c1-10-12(14(19)21-16(3,4)5)9-13(11(2)18-10)15(20)22-17(6,7)8/h18H,9H2,1-8H3
(3)InChIKey: WSWDAKKWVAVVAI-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C17H27NO4/c1-10-12(14(19)21-16(3,4)5)9-13(11(2)18-10)15(20)22-17(6,7)8/h18H,9H2,1-8H3
(5)Std. InChIKey: WSWDAKKWVAVVAI-UHFFFAOYSA-N

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