Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | ||
Synonyms |
DI-TERT-BUTYL 2 6-DIMETHYL-1 4-DIHYDROP&; |
Article Data | 14 |
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