L-2-Aminobutanol-d5 - AR , CAS No.1217783-40-8

CAS: 1217783-40-8 Cat. No.: L693757 Molecular Weight: 94.17

GRADE & PURITY AR

Storage

Room temperature

Specifications

Specifications & Purity

AR

Storage

Room temperature

Grade

AR

Names and Identifiers

• Canonical Smiles: CCC(CO)N
• IUPAC Name: (2S)-2-amino-3,3,4,4,4-pentadeuteriobutan-1-ol
• InChIKey: JCBPETKZIGVZRE-JWUQSEDQSA-N
• INCHI: 1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1/i1D3,2D2
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])[C@@H](CO)N
• Molecular Weight: 94.17
• Reaxy-Rn: 1098274
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098274&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Primary alcohols Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
• 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