3-Ethoxypropanimidamide hydrochloride - ≥95% , CAS No.1170847-92-3

CAS: 1170847-92-3 Cat. No.: E1233370 分子式: C₅H₁₃ClN₂O 分子量: 152.62 PubChem CID: 42614326

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

• カノニカル・スマイル: CCOCCC(=N)N.Cl
• IUPAC Name: 3-ethoxypropanimidamide;hydrochloride
• InChIKey: GJXJHJJLABPCPQ-UHFFFAOYSA-N
• INCHI: 1S/C5H12N2O.ClH/c1-2-8-4-3-5(6)7;/h2-4H2,1H3,(H3,6,7);1H
• 異性体SMILES: CCOCCC(=N)N.Cl
• PubChem CID: 42614326
• 分子量: 152.62

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: 152.620 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 152.072 Da
• Monoisotopic Mass: 152.072 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.800
• 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