94405-94-4

The Diethylazanium; hexadecanoate, with the CAS registry number 94405-94-4, is also known as Diethylammonium palmitate. Its EINECS registry number is 305-290-5. This chemical's molecular formula is C₂₀H₄₃NO₂ and molecular weight is 329.56092. Its IUPAC name is called N-ethylethanamine; hexadecanoic acid.

Physical properties of Diethylazanium; hexadecanoate: (1)ACD/LogP: 7.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.36; (4)ACD/LogD (pH 7.4): 4.56; (5)ACD/BCF (pH 5.5): 25738.91; (6)ACD/BCF (pH 7.4): 412.92; (7)ACD/KOC (pH 5.5): 29677.7; (8)ACD/KOC (pH 7.4): 476.11; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Flash Point: 154.1 °C; (13)Enthalpy of Vaporization: 61.66 kJ/mol; (14)Boiling Point: 340.6 °C at 760 mmHg; (15)Vapour Pressure: 3.28E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCC(=O)O.CCNCC
(2)InChI: InChI=1S/C16H32O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-5-4-2/h2-15H2,1H3,(H,17,18);5H,3-4H2,1-2H3
(3)InChIKey: VSZRCQZFSMQWCK-UHFFFAOYSA-N