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

CAS: 1170847-92-3 Cat. No.: E1233370 Formule: C₅H₁₃ClN₂O Poids moléculaire: 152.62 PubChem CID: 42614326

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: CCOCCC(=N)N.Cl
• PubChem CID: 42614326
• Poids moléculaire: 152.62

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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