3,5-Dimethylheptane - ≥99%(GC) , CAS No.926-82-9

CAS: 926-82-9 Cat. No.: D155232 Fórmula: C₉H₂₀ Peso molecular: 128.26 Número CE: 621-826-3

GRADE & PURITY ≥99%(GC)

Synonyms

FT-0692014 | DZJTZGHZAWTWGA-UHFFFAOYSA- | DZJTZGHZAWTWGA-UHFFFAOYSA-N | 3,5-Dimethylheptane, (L) | Heptane, 3,5-dimethyl- | DTXSID30870798 | InChI=1/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3 | Q2815981 | T71466 | MFCD00048659 | 3,5-Dimethylheptane, (D) |

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

FT-0692014 | DZJTZGHZAWTWGA-UHFFFAOYSA- | DZJTZGHZAWTWGA-UHFFFAOYSA-N | 3,5-Dimethylheptane, (L) | Heptane, 3,5-dimethyl- | DTXSID30870798 | InChI=1/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3 | Q2815981 | T71466 | MFCD00048659 | 3,5-Dimethylheptane, (D) |

Especificações e pureza

≥99%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Pureza

≥99%(GC)

Nomes e identificadores

• Sorrisos canónicos: CCC(C)CC(C)CC
• IUPAC Name: 3,5-dimethylheptane
• InChIKey: DZJTZGHZAWTWGA-UHFFFAOYSA-N
• INCHI: 1S/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3
• SMILES isoméricas: CCC(C)CC(C)CC
• Peso molecular: 128.26
• Reaxy-Rn: 1696911
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696911&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 23°C(lit.)
• Ponto de inflamação (°C): 23°C(lit.)
• Ponto de ebulição (°C): 136°C
• Peso molecular: 128.250 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 128.157 Da
• Monoisotopic Mass: 128.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 49.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1