Hexanamide

Reported in EPA TSCA Inventory.

The IUPAC name of this chemical is hexanamide. With the CAS registry number 628-02-4, it is also named as Caproamide. The product's categories are Color Former & Related Compounds; Functional Materials; Sensitizer. It is colourless crystalline solid which is soluble in hot water, ethanol, ether, chloroform, benzene, and slightly soluble in water. What's more, this chemical is stable, combustible and incompatible with acids, bases, strong oxidizing agents. Besides, it should be sealed in the container and stored in the cool and dry place which must be away from oxidant.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.178; (4)ACD/LogD (pH 7.4): 1.178; (5)ACD/BCF (pH 5.5): 4.624; (6)ACD/BCF (pH 7.4): 4.624; (7)ACD/KOC (pH 5.5): 104.144; (8)ACD/KOC (pH 7.4): 104.144; (9)#H bond acceptors: 2 #H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 43.09 Å²; (12)Index of Refraction: 1.434; (13)Molar Refractivity: 33.411 cm³; (14)Molar Volume: 128.373 cm³; (15)Polarizability: 13.245×10^-24 cm³; (16)Surface Tension: 31.848 dyne/cm; (17)Density: 0.897 g/cm³; (18)Flash Point: 102.224 °C; (19)Enthalpy of Vaporization: 49.245 kJ/mol; (20)Boiling Point: 254.999 °C at 760 mmHg; (21)Vapour Pressure: 0.017 mmHg at 25°C.

Preparation of Hexanamide: It can be obtained by Hexanoic and Ammonia. Heating Hexanoic to 170-180 °C and passing ammonia to react about 5h. Then distilling the unreacted Hexanoic. After the residue being recrystallized with benzene, we can get the product. The yield is 70-80%.

Uses of Hexanamide: It is used in organic synthesis. For example: it can react with [hydroxy(tosyloxy)iodo]benzene to get n-pentylammonium tosylate. This reaction needs solvent acetonitrile by heating. The reaction time is 45 min. The yield is 94%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:CCCCCC(=O)N
2. InChI:InChI=1/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
3. InChIKey:ALBYIUDWACNRRB-UHFFFAOYAC