1-Octanamine, N-methyl- (2439-54-5)

The N-Methyloctylamine, with the cas registry number 2439-54-5 and EINECS registry number 219-462-1, has the systematic name and IUPAC name of N-methyloctan-1-amine. It is a kind of clear colorless to pale yellow liquid, and it belongs to the following product categories: Anilines, Aromatic Amines and Nitro Compounds; Polyamines. And the molecular formula of the chemical is C₉H₂₁N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.17; (8)ACD/KOC (pH 7.4): 1.6; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 47.33 cm³; (15)Molar Volume: 185.9 cm³; (16)Polarizability: 18.76×10^-24cm³; (17)Surface Tension: 25.5 dyne/cm; (18)Density: 0.77 g/cm³; (19)Flash Point: 50.7 °C; (20)Enthalpy of Vaporization: 41.74 kJ/mol; (21)Boiling Point: 181.1 °C at 760 mmHg; (22)Vapour Pressure: 0.867 mmHg at 25°C.

Preparation of N-Methyloctylamine: This chemical can be prepared by N-methyl-N-octyl-amino-acetonitrile. The reaction will need reagent CuSO₄^.5H₂O, the menstruum methanol and H₂O. The reaction time is 1.5 hours with heating, and the yield is about 90%. 

Uses of N-Methyloctylamine: It can react with benzoic acid to produce N-methyl-N-octyl-benzamide. This reaction will need reagent polystyrene-bound pyridine-3-boronic acid, and the menstruum toluene. The reaction time is 24 hours with heating, and the yield is about 48%.

You should be cautious while dealing with this chemical. It causes burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; Avoid contact with eyes; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N(CCCCCCCC)C
(2)InChI: InChI=1/C9H21N/c1-3-4-5-6-7-8-9-10-2/h10H,3-9H2,1-2H3
(3)InChIKey: SEGJNMCIMOLEDM-UHFFFAOYAL