3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-, 3,5-didodecyl ester supplier

Name
didodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
EINECS 252-939-2
CAS No. 36265-41-5
Article Data5
CAS DataBase
Density 0.954 g/cm³
Solubility
Melting Point 93-94 °C(Solv: ethanol (64-17-5))
Formula C₃₃H₅₉NO₄
Boiling Point 603.3 °C at 760 mmHg
Molecular Weight 533.836
Flash Point 318.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-, didodecyl ester (9CI);2,6-Dimethyl-3,5-didodecyloxycarbonyl-1,4-dihydropyridine;2,6-Dimethyl-3,5-dilauryloxycarbonyl-1,4-dihydropyridine;Didodecyl1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate;Dilauryl1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate;Stavinor D 507;
PSA 64.63000
LogP 9.78470

3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-, 3,5-didodecyl ester Specification

The 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-, 3,5-didodecyl ester, with the CAS registry number 36265-41-5, is also known as Didodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate. Its EINECS number is 252-939-2. This chemical's molecular formula is C₃₃H₅₉NO₄ and molecular weight is 533.83. What's more, its systematic name is didodecyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Physical properties of 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-, 3,5-didodecyl ester are: (1)ACD/LogP: 13.14; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.14; (4)ACD/LogD (pH 7.4): 13.14; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 26; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 158.83 cm³; (15)Molar Volume: 559.4 cm³; (16)Polarizability: 62.96×10^-24 cm³; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 0.954 g/cm³; (19)Flash Point: 318.7 °C; (20)Enthalpy of Vaporization: 89.74 kJ/mol; (21)Boiling Point: 603.3 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OCCCCCCCCCCCC)\C1=C(\N/C(=C(/C(=O)OCCCCCCCCCCCC)C1)C)C
(2)InChI: InChI=1/C33H59NO4/c1-5-7-9-11-13-15-17-19-21-23-25-37-32(35)30-27-31(29(4)34-28(30)3)33(36)38-26-24-22-20-18-16-14-12-10-8-6-2/h34H,5-27H2,1-4H3
(3)InChIKey: VEUDMQNHACTHAL-UHFFFAOYAY

Product Name

didodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate

3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-, 3,5-didodecyl ester Specification

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