2-Chloroacetamide - ≥99% , CAS No.79-07-2

CAS: 79-07-2 Cat. No.: C106072 分子式: C₂H₄ClNO 分子量: 93.51 Beilstein Registry Number: 878191 EC番号: 201-174-2

GRADE & PURITY ≥99%

Synonyms

AMY4113 | CHLORACETAMIDE | NSC54286 | NSC-54286 | Tox21_304037 | NCGC00357244-01 | F2190-0195 | monochloroacetamide | Acetamide, .alpha.-chloro- | HSDB 7449 | .alpha.-Chloroacetamide | .alpha.-Chloracetamide | FT-0611896 | Q209345 | USAF DO-29 | alpha-Chl

Storage

Room temperature

Shipped In

Normal

概要

Reagent for the synthesis of carboxamidomethyl esters as carboxyl protecting groups in peptide synthesis

Specifications

同義語

AMY4113 | CHLORACETAMIDE | NSC54286 | NSC-54286 | Tox21_304037 | NCGC00357244-01 | F2190-0195 | monochloroacetamide | Acetamide, .alpha.-chloro- | HSDB 7449 | .alpha.-Chloroacetamide | .alpha.-Chloracetamide | FT-0611896 | Q209345 | USAF DO-29 | alpha-Chl

仕様と純度

≥99%

生化学的・生理学的メカニズム

Herbicidal agent. Inhibits very-long-chain fatty acid elongase. Shows carcinogenic effects in vivo.

保管条件

Room temperature

入荷

Normal

アクションタイプ

INHIBITOR

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥99%

名前と識別子

パブケム・シド

504751131

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751131

カノニカル・スマイル

C(C(=O)N)Cl

IUPAC Name

2-chloroacetamide

InChIKey

VXIVSQZSERGHQP-UHFFFAOYSA-N

INCHI

1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)

異性体SMILES

C(C(=O)N)Cl

WGKドイツ

2

RTECS

AB5075000

UN番号

2811

分子量

93.51

Beilstein

878191

Reaxy-Rn

878191

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878191&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Chloroacetamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Chloroacetamides
• Alternative Parents: Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chloroacetamide - Primary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as chloroacetamides. These are organic compounds with the general formula RNHC(=O)CH2Cl, where R= organyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（非人間）

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in methanol (100 mg/ml), absolute ethanol (10 part), diethyl ether (very slightly), water (90 mg/ml at 20 °C), and alcohol.
• 感度: Moisture Sensitive
• 引火点（°F）: 338 °F
• 引火点（°C）: 170℃
• 沸点（°C）: 225°C
• 融点（°C）: 116-118°C
• 分子量: 93.510 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 92.9981 Da
• Monoisotopic Mass: 92.9981 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 44.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1