Name: t-Butoxycarbonyl-4-Tributylstannyl-1,2,3,6-tetrahydropyridine
SKU: 208465-07-0

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Basic Information

Molecular Structure:
CAS No.:	208465-07-0
Name:	t-Butoxycarbonyl-4-Tributylstannyl-1,2,3,6-tetrahydropyridine
Article Data:	6

Formula:	C₂₂H₄₃NO₂Sn
Molecular Weight:	472.299
Synonyms:	2-Methyl-2-propanyl 4-(tributylstannyl)-3,6-dihydro-1(2H)-pyridinecarboxylate;
Boiling Point:	464.392 °C at 760 mmHg
Flash Point:	234.656 °C
PSA:	29.54000
LogP:	6.87980

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Specification

The 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(tributylstannyl)-,1,1-dimethylethyl ester, with the CAS registry number 208465-07-0, is also known as 3,6-Dihydro-4-(tributylstannyl)-1(2H)-pyridinecarboxylic acid t-butyl ester. This chemical's molecular formula is C₂₂H₄₃NO₂Sn and molecular weight is 473.23. What's more, its systematic name is called 2-Methyl-2-propanyl 4-(tributylstannyl)-3,6-dihydro-1(2H)-pyridinecarboxylate.

Physical properties about 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(tributylstannyl)-,1,1-dimethylethyl ester are: (1)ACD/LogP: 10.044; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.04; (4)ACD/LogD (pH 7.4): 10.04; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 6935150.00; (8)ACD/KOC (pH 7.4): 6935150.00; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 234.656 °C; (14)Enthalpy of Vaporization: 72.58 kJ/mol; (15)Boiling Point: 464.392 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCC[Sn](CCCC)(CCCC)C\1=C\CN(CC/1)C(=O)OC(C)(C)C
(2) InChI: InChI=1S/C10H16NO2.3C4H9.Sn/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;3*1-3-4-2;/h5H,6-8H2,1-3H3;3*1,3-4H2,2H3;
(3) InChIKey: DFXDFQGKKJGPND-UHFFFAOYSA-N