2-(2-Methyl-1H-imidazol-1-yl)ethanamine dihydrochloride - ≥95% , CAS No.858513-10-7

CAS: 858513-10-7 Cat. No.: M195358 Molecular Weight: 198.09 EC Number: 693-807-8

GRADE & PURITY ≥95%

Synonyms

2-(2-methyl-1H-imidazol-1-yl)ethan-1-amine dihydrochloride | 2-(2-Methyl-1H-imidazol-1-yl)ethanamine diHCl | 2-(2-Methyl-1-imidazolyl)ethylamine Dihydrochloride | DS-14813 | EN300-7494097 | SY033876 | AKOS005144491 | [2-(2-methyl-1h-imidazol-1-yl)ethyl]am

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-(2-methyl-1H-imidazol-1-yl)ethan-1-amine dihydrochloride | 2-(2-Methyl-1H-imidazol-1-yl)ethanamine diHCl | 2-(2-Methyl-1-imidazolyl)ethylamine Dihydrochloride | DS-14813 | EN300-7494097 | SY033876 | AKOS005144491 | [2-(2-methyl-1h-imidazol-1-yl)ethyl]am

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504770543
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770543
• Canonical Smiles: CC1=NC=CN1CCN.Cl.Cl
• IUPAC Name: 2-(2-methylimidazol-1-yl)ethanamine;dihydrochloride
• InChIKey: HONFWFKQFLFWPA-UHFFFAOYSA-N
• INCHI: 1S/C6H11N3.2ClH/c1-6-8-3-5-9(6)4-2-7;;/h3,5H,2,4,7H2,1H3;2*1H
• Isomeric SMILES: CC1=NC=CN1CCN.Cl.Cl
• WGK Germany: 3
• Alternate CAS: 113741-01-8
• Molecular Weight: 198.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 2-arylethylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: 2-arylethylamines
• Alternative Parents: N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-arylethylamine - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Hydrochloride - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic 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

Chemical and Physical Properties

• Melt Point(°C): 116-120°C
• Molecular Weight: 198.090 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 197.049 Da
• Monoisotopic Mass: 197.049 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 84.400
• 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: 3

XLogP3