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3,3-dimethylbutanamide

3,3-dimethylbutanamide structure

3,3-dimethylbutanamide 

structure
  • CAS No:

    926-04-5

  • Formula:

    C6H13NO

  • Chemical Name:

    3,3-dimethylbutanamide

  • Synonyms:

    3,3-Dimethylbutanamide;t-Butylacetamide;3,3-Dimethyl-butyramide;3,3-DIMETHYLBUTYRAMIDE;CHEMBL170283;NSC1145;3,3-Dimethylbutanamide #;Butanamide,3,3-dimethyl-;Butanamide, 3,3-dimethyl-;SCHEMBL125115

Description

3, 3-Dimethylbutanamide is an organic compound that falls under the category of amines. The molecular formula of this compound is C7H15NO and its molecular weight is 129.20 g/mol. In the structure of 3, 3-Dimethylbutanamide, we can observe a chain structure composed of four carbon atoms. Of particular note in this chain structure are the two methyl (-CH3) substituents located on the No. 3 carbon atom, whose presence gives the entire molecule a branched amino acid structure. This compound usually exists in the form of a colorless liquid or solid and has unique chemical properties. According to the data provided,3, 3-Dimethylbutanamide has a molecular weight of 115.176 and an exact mass of 115.1. It has several NSC numbers: 400229, 165573, and 1145. In addition, it has a DSSTox ID, DTXSID30277208. The compound has a topological polar surface area (PSA) of 43.1 and an XLogP3 value of 0.8. Its density is predicted to be 0.896±0.06 g/cm3. In terms of physical properties, the melting point of 3, 3-Dimethylbutanamide ranges from 132-132.6 °C. It has a hydrogen bond donor number and a hydrogen bond acceptor number of 1, and a rotation bond number of 2. The compound has a precise mass of 115.0997 and an isotopic atomic weight of 115.0997. It has a heavy atom number of 8, a complexity of 91.2, and a covalent bond unit number of 1. Finally, the compound has been standardized, which indicates that its structure and properties have been recognized and documented by an authority.

3,3-dimethylbutanamide Basic Attributes

115.176

115.1

400229|165573|1145

DTXSID30277208

Characteristics

43.1

0.8

0.896±0.06 g/cm3(Predicted)

132-132.6 °C

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3,3-dimethylbutanamide Use and Manufacturing

3, 3-Dimethylbutanamide is an organic compound that falls under the category of amines. The molecular formula of this compound is C7H15NO and its molecular weight is 129.20 g/mol. 3, 3-Dimethylbutanamide is commonly used as an intermediate in organic synthesis and plays a crucial role in the synthesis of complex molecules and drugs. Its application in the pharmaceutical industry is particularly significant, as the compound can be used to synthesize biologically active molecules that can aid in the development of new drugs, especially for the treatment of neurological and metabolic diseases. For example, it can play a key role in the synthesis of certain anti-epileptic drugs or diabetes treatments. In the field of agricultural chemicals,3, 3-Dimethylbutanamide can also be used in the synthesis of pesticides as an active ingredient or intermediate to help improve crop yield and disease resistance. For example, it may be used to make certain insecticides or fungicides that protect crops from pests and diseases, thereby increasing overall agricultural productivity. In materials science,3, 3-Dimethylbutanamide is also widely used. It may be used to manufacture polymers and coatings that provide specific physical and chemical properties. For example, it can play a key role in the manufacture of certain high-performance plastics or special functional coatings, giving these materials excellent heat resistance, chemical resistance and mechanical strength. The unique structure and chemical properties of 3, 3-Dimethylbutanamide give it important potential applications in several fields. Its versatility makes it an important tool for organic synthetic chemists and materials scientists, offering broad prospects for the development of new drugs, pesticides and high-performance materials.

Computed Properties

Molecular Weight:115.17
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:115.099714038
Monoisotopic Mass:115.099714038
Topological Polar Surface Area:43.1
Heavy Atom Count:8
Complexity:91.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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