tris(diethylamino)phosphine (2283-11-6)

The Hexaethylphosphorous triamide with the cas number 2283-11-6 is also called Phosphorous triamide,N,N,N',N',N'',N''-hexaethyl-. The IUPAC name is N-[bis(diethylamino)phosphanyl]-N-ethylethanamine. Its EINECS registry number is 218-920-8. The molecular formula is C₁₂H₃₀N₃P.

The properties of the chemical are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.12; (7)ACD/KOC (pH 5.5): 1.36; (8)ACD/KOC (pH 7.4): 8.55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 23.31 Å²; (13)Enthalpy of Vaporization: 44.27 kJ/mol; (14)Vapour Pressure: 0.237 mmHg at 25°C.

Preparation: This chemical can be prepared by diethylamine. This reaction needs reagent PCl₃ and solvent petroleum ether. The yield is 61.5%.

Uses: This chemical can react with isonicotinic acid to prepare isonicotinic acid diethylamide. This reaction needs temperature of 210 - 220 °C. The reaction time is 3.0 hours. The yield is 79.5%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N(P(N(CC)CC)N(CC)CC)(CC)CC
(2)InChI: InChI=1/C12H30N3P/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3
(3)InChIKey: FDIOSTIIZGWENY-UHFFFAOYAG