N,N-dimethyldocosylamine

The CAS register number of 1-Docosanamine,N,N-dimethyl- is 21542-96-1. It also can be called as N-Docosyldimethylamine and the systematic name about this chemical is N,N-dimethyldocosan-1-amine. The molecular formula about this chemical is C₂₄H₅₁N and the molecular weight is 353.66844.

Physical properties about 1-Docosanamine,N,N-dimethyl- are: (1)ACD/LogP: 11.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.15; (4)ACD/LogD (pH 7.4): 8.92; (5)ACD/BCF (pH 5.5): 168222.64; (6)ACD/BCF (pH 7.4): 984019.81; (7)ACD/KOC (pH 5.5): 25652.16; (8)ACD/KOC (pH 7.4): 150052.53; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 21; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.453; (13)Molar Refractivity: 116.95 cm³; (14)Molar Volume: 431.9 cm³; (15)Polarizability: 46.36x10^-24cm³; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 0.818 g/cm³; (18)Flash Point: 175.4 °C; (19)Enthalpy of Vaporization: 64.11 kJ/mol; (20)Boiling Point: 391.5 °C at 760 mmHg; (21)Vapour Pressure: 2.46E-06 mmHg at 25 °C.

Uses of 1-Docosanamine,N,N-dimethyl-: it can be used to produce 6-(docosyldimethylammonio)-5-hydroxyhexanoate with 4-oxiranyl-butyric acid ethyl ester. This reaction will need solvent of aq. ethanol. The reaction time is 42 hours with reaction temperature of 80 °C. The yield is about 62%.

You can still convert the following datas into molecular structure:
(1)SMILES: N(CCCCCCCCCCCCCCCCCCCCCC)(C)C
(2)InChI: InChI=1/C24H51N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)3/h4-24H2,1-3H3
(3)InChIKey: ICZKASVWFUJTEI-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C24H51N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)3/h4-24H2,1-3H3
(5)Std. InChIKey: ICZKASVWFUJTEI-UHFFFAOYSA-N