2-Methoxyacetimidamide hydrochloride - ≥98% , CAS No.1903-91-9

CAS: 1903-91-9 Cat. No.: M191798 Formula: C₃H₉ClN₂O Peso molecolare: 124.57 Numero EC: 800-436-9

GRADE & PURITY ≥98%

Synonyms

JIQYMVXNVNFXIP-UHFFFAOYSA-N | 2-METHOXYACETAMIDINE HCL | A813405 | 5-(4-Fluorophenyl)-4-pentenoicacid | Ethanimidamide, 2-methoxy-, monohydrochloride | Methoxyethanimidamide--hydrogen chloride (1/1) | FT-0656027 | EN300-84960 | Z1258620054 | AKOS015998651

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

JIQYMVXNVNFXIP-UHFFFAOYSA-N | 2-METHOXYACETAMIDINE HCL | A813405 | 5-(4-Fluorophenyl)-4-pentenoicacid | Ethanimidamide, 2-methoxy-, monohydrochloride | Methoxyethanimidamide--hydrogen chloride (1/1) | FT-0656027 | EN300-84960 | Z1258620054 | AKOS015998651

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508808472

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808472

Sorrisi canonici

COCC(=N)N.Cl

IUPAC Name

2-methoxyethanimidamide;hydrochloride

InChIKey

JIQYMVXNVNFXIP-UHFFFAOYSA-N

INCHI

1S/C3H8N2O.ClH/c1-6-2-3(4)5;/h2H2,1H3,(H3,4,5);1H

Isomeri SMILES

COCC(=N)N.Cl

Peso molecolare

124.57

Reaxy-Rn

5064011

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5064011&ln=

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 124.570 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 124.04 Da
• Monoisotopic Mass: 124.04 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 52.800
• 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