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628-02-4

628-02-4 Structure

628-02-4 Structure
IdentificationMore
[Name]

HEXANAMIDE
[CAS]

628-02-4
[Synonyms]

CAPROAMIDE
HEXANAMIDE
HEXANOAMIDE
N-CAPROAMIDE
N-CAPROIC AMIDE
N-CAPRONAMIDE
N-HEXANAMIDE
Capronamide
Hexamide
Hexoamide
Hexylamide
NCI-C02142
Caproic acid amide
[EINECS(EC#)]

211-024-8
[Molecular Formula]

C6H13NO
[MDL Number]

MFCD00008046
[Molecular Weight]

115.17
[MOL File]

628-02-4.mol
Chemical PropertiesBack Directory
[Appearance]

colourless crystalline solid
[Melting point ]

100-102 °C(lit.)
[Boiling point ]

215.49°C (rough estimate)
[density ]

0.9990
[refractive index ]

1.4200 (estimate)
[storage temp. ]

Store at room temperature
[form ]

Flakes
[pka]

16.76±0.40(Predicted)
[color ]

White to off-white
[Stability:]

Stable. Combustible. Incompatible with acids, bases, strong oxidizing agents.
[Water Solubility ]

29.72g/L(25 ºC)
[InChI]

1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
[InChIKey]

ALBYIUDWACNRRB-UHFFFAOYSA-N
[SMILES]

CCCCCC(N)=O
[CAS DataBase Reference]

628-02-4(CAS DataBase Reference)
[EPA Substance Registry System]

Hexanamide (628-02-4)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

MN7875000
[TSCA ]

Yes
[HS Code ]

29241990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

628-02-4(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hexanoic acid-->Hexanal oxime-->2-methylvaleramide-->3-Phenylpropionitrile-->Hexanoyl chloride-->carbon monoxide-->1-Hexanol-->1-Pentene-->HEXANOIC ANHYDRIDE-->Hexylamine
[Preparation Products]

Tetrachlorophthalimide-->GERANYL CAPROATE-->N-OCTYL CAPROATE-->Hexanenitrile-->Hexane
Hazard InformationBack Directory
[General Description]

Colorless crystals.
[Reactivity Profile]

HEXANAMIDE(628-02-4) is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). Can react with mineral acids and bases.
[Air & Water Reactions]

Slightly soluble in water.
[Fire Hazard]

Flash point data are not available for this chemical, but HEXANAMIDE is probably combustible.
[Chemical Properties]

colourless crystalline solid
[Uses]

Hexanoamide is the most rapidly hydrolysed substrate for amidase from Aspergillus nidulans. Zirconium mediated conversion of hexanoamide to hexanenitrile has been reported.
[Definition]

ChEBI:Hexanamide is a fatty amide of hexanoic acid. It is a primary carboxamide and a primary fatty amide. It is functionally related to a hexanoic acid.
[Synthesis Reference(s)]

Canadian Journal of Chemistry, 45, p. 2599, 1967 DOI: 10.1139/v67-422
The Journal of Organic Chemistry, 49, p. 2015, 1984 DOI: 10.1021/jo00185a038
[Purification Methods]

Recrystallise the amide from hot water. [Beilstein 2 H 324, 2 I 141, 2 II 286, 2 III 732.]
Spectrum DetailBack Directory
[Spectrum Detail]

HEXANAMIDE(628-02-4)MS
HEXANAMIDE(628-02-4)1HNMR
HEXANAMIDE(628-02-4)13CNMR
HEXANAMIDE(628-02-4)IR1
HEXANAMIDE(628-02-4)IR2
HEXANAMIDE(628-02-4)IR3
HEXANAMIDE(628-02-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Hexanamide, 98%(628-02-4)
[Alfa Aesar]

Hexanamide, 99%(628-02-4)
[Sigma Aldrich]

628-02-4(sigmaaldrich)
[TCI AMERICA]

Hexanamide,>98.0%(N)(628-02-4)
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