Name: DI-TERT-BUTYL 2 6-DIMETHYL-1 4-DIHYDROP&
SKU: 55536-71-5

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Basic Information

Molecular Structure:
CAS No.:	55536-71-5
Name:	DI-TERT-BUTYL 2 6-DIMETHYL-1 4-DIHYDROP&
Article Data:	14

Formula:	C₁₇H₂₇NO₄
Molecular Weight:	309.4
Synonyms:	DI-TERT-BUTYL 2 6-DIMETHYL-1 4-DIHYDROP&;
Density:	1.047 g/cm³
Melting Point:	142-149 °C
Boiling Point:	389.9 °C at 760 mmHg
Flash Point:	189.6 °C
Hazard Symbols:
Risk Codes:	R22
PSA:	64.63000
LogP:	3.53990

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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