1-Methyl-1H-imidazol-4-amine hydrochloride - ≥95% , CAS No.89088-69-7

CAS: 89088-69-7 Cat. No.: M195625 Molecular Weight: 133.58

GRADE & PURITY ≥95%

Synonyms

DS-17162 | PB43754 | SCHEMBL2186758 | STHPSKXDPYIGLM-UHFFFAOYSA-N | 1H-Imidazol-4-amine, 1-methyl-, hydrochloride (1:2) | 1-methylimidazol-4-amine;hydrochloride | Z2472857442 | 1-METHYL-1H-IMIDAZOL-4-AMINE HCL | 1-methyl-1H-imidazol-4-amine hydrochloride

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DS-17162 | PB43754 | SCHEMBL2186758 | STHPSKXDPYIGLM-UHFFFAOYSA-N | 1H-Imidazol-4-amine, 1-methyl-, hydrochloride (1:2) | 1-methylimidazol-4-amine;hydrochloride | Z2472857442 | 1-METHYL-1H-IMIDAZOL-4-AMINE HCL | 1-methyl-1H-imidazol-4-amine hydrochloride

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CN1C=C(N=C1)N.Cl
• IUPAC Name: 1-methylimidazol-4-amine;hydrochloride
• InChIKey: STHPSKXDPYIGLM-UHFFFAOYSA-N
• INCHI: 1S/C4H7N3.ClH/c1-7-2-4(5)6-3-7;/h2-3H,5H2,1H3;1H
• Isomeric SMILES: CN1C=C(N=C1)N.Cl
• Molecular Weight: 133.58
• Reaxy-Rn: 4521573
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4521573&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Aminoimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Aminoimidazoles
• Alternative Parents: N-substituted imidazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidolactam - N-substituted imidazole - Aminoimidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminoimidazoles. These are organic compounds containing an amino group linked to an imidazole ring.
• 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

• Sensitivity: Light sensitive
• Molecular Weight: 133.580 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.041 Da
• Monoisotopic Mass: 133.041 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 64.000
• 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