2-Ethoxyethanimidamide hydrochloride - ≥97% , CAS No.1263377-63-4

CAS: 1263377-63-4 Cat. No.: E1288894 分子式: C₄H₁₁ClN₂O 分子量: 138.6 EC番号: 866-083-8 PubChem CID: 50999458

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• カノニカル・スマイル: CCOCC(=N)N.Cl
• IUPAC Name: 2-ethoxyethanimidamide;hydrochloride
• InChIKey: UQUIVPXCXXIPML-UHFFFAOYSA-N
• INCHI: 1S/C4H10N2O.ClH/c1-2-7-3-4(5)6;/h2-3H2,1H3,(H3,5,6);1H
• 異性体SMILES: CCOCC(=N)N.Cl
• PubChem CID: 50999458
• 分子量: 138.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxamidines
• Alternative Parents: Dialkyl ethers Carboximidamides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboximidamide - Ether - Dialkyl ether - Carboxylic acid amidine - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as carboxamidines. These are carboxylic acid derivatives containing the amidine 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

化学的性質と物理的性質

• 分子量: 138.590 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 138.056 Da
• Monoisotopic Mass: 138.056 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.700
• 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: 2

XLogP3

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1263377-63-4, the molecular formula is C4H11ClN2O, and the molecular weight is 138.6 g/mol. InChIKey UQUIVPXCXXIPML-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.