N-propylbutylamine (20193-21-9)

The N-Propylbutylamine, with the CAS registry number 20193-21-9, has the systematic name of N-propylbutan-1-amine. It belongs to the categories: Amines; C7; Nitrogen Compounds. And the molecular formula of the chemical is C₇H₁₇N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.412; (14)Molar Refractivity: 38.07 cm³; (15)Molar Volume: 152.8 cm³; (16)Polarizability: 15.09×10^-24cm³; (17)Surface Tension: 24 dyne/cm; (18)Density: 0.753 g/cm³; (19)Flash Point: 26.8 °C; (20)Enthalpy of Vaporization: 37.91 kJ/mol; (21)Boiling Point: 142 °C at 760 mmHg; (22)Vapour Pressure: 5.71 mmHg at 25°C.

Preparation: This chemical can be prepared by butyl-propyliden-amine. The reaction will need reagent Hantzsch ester and SiO₂, and the menstruum benzene. The reaction time is 3 hours with temperature of 25°C, and the yield is about 68%.

You should be cautious while dealing with this chemical. It is a kind of highly flammable chemical, and, may cause burns. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, gloves and eye/face protection; If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N(CCC)CCCC
(2)InChI: InChI=1/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3
(3)InChIKey: CWYZDPHNAGSFQB-UHFFFAOYAU