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Hexanamide

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Name

Hexanamide

EINECS 211-024-8
CAS No. 628-02-4 Density 0.897 g/cm3
PSA 43.09000 LogP 1.75230
Solubility Soluble in hot water, ethanol, ether, chloroform, benzene, slightly soluble in water Melting Point 100-102 °C(lit.)
Formula C6H13NO Boiling Point 254.999 °C at 760 mmHg
Molecular Weight 115.175 Flash Point 102.224 °C
Transport Information N/A Appearance colourless crystalline solid
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 628-02-4 (Hexanamide) Hazard Symbols IrritantXi
Synonyms

Caproamide;Caproic amide;Capromide;Capronamide;Hexylamide;NSC 8437;n-Caproamide;n-Hexanamide;

Article Data 96

Hexanamide Consensus Reports

Reported in EPA TSCA Inventory.

Hexanamide Specification

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%.

Hexanamide can react with [hydroxy(tosyloxy)iodo]benzene to get n-pentylammonium tosylate

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

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