Tele-methylhistamine , CAS No.501-75-7

CAS: 501-75-7 Cat. No.: T1074117 Formula: C₆H₁₁N₃ Peso molecolare: 125.17 Numero EC: 838-453-9 PubChem CID: 3614

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifiche

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

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Nomi e identificatori

Sorrisi canonici

Cn1cc(nc1)CCN

IUPAC Name

2-(1-methylimidazol-4-yl)ethanamine

InChIKey

FHQDWPCFSJMNCT-UHFFFAOYSA-N

INCHI

1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3

Isomeri SMILES

CN1C=C(N=C1)CCN

PubChem CID

3614

Peso molecolare

125.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: 2-arylethylamines
• Alternative Parents: Aralkylamines N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-arylethylamine - Aralkylamine - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Descrizione: 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: imidazoles - primary amino compound

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: 125.170 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 125.095 Da
• Monoisotopic Mass: 125.095 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 9
• 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: 1