N,N-dioctadecylmethylamine (4088-22-6)

The N-Methyldioctadecylamine, with the CAS registry number 4088-22-6, is also known as 1-Octadecanamine, N-methyl-N-octadecyl-. Its EINECS registry number is 223-819-7. This chemical's molecular formula is C₃₇H₇₇N and molecular weight is 536.01. Its IUPAC name and systematic name are the same which is called N-methyl-N-octadecyloctadecan-1-amine.

Physical properties of N-Methyldioctadecylamine: (1)ACD/LogP: 18.13; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.05; (4)ACD/LogD (pH 7.4): 15.8; (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: 1; (10)#Freely Rotating Bonds: 34; (11)Index of Refraction: 1.46; (12)Molar Refractivity: 177.18 cm³; (13)Molar Volume: 646.5 cm³; (14)Surface Tension: 31.3 dyne/cm; (15)Density: 0.829 g/cm³; (16)Flash Point: 261.6 °C; (17)Enthalpy of Vaporization: 85.84 kJ/mol; (18)Boiling Point: 572.7 °C at 760 mmHg; (19)Vapour Pressure: 4.02E-13 mmHg at 25°C.

Preparation: this chemical can be prepared by N-methyl-N-octadecyloctadecanamide. This reaction will need reagent LiAlH₄ and solvent tetrahydrofuran. The reaction time is 1.5 hours at the ambient temperature. The yield is about 76%.

Uses of N-Methyldioctadecylamine: it can be used to produce bis(n-octadecylmethyl)(p-vinylbenzyl)-ammonium chloride at temperature of 70 °C. This reaction will need reagent tert-butyl-cotechol with reaction time of 48 hours. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C37H77N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3
(3)InChIKey: VFLWKHBYVIUAMP-UHFFFAOYSA-N