ヘプタン - 無水, 99%以上 , CAS No.142-82-5

CAS: 142-82-5 Cat. No.: H119701 分子式: C₇H₁₆ 分子量: 100.2 Beilstein Registry Number: 1730763 EC番号: 205-563-8

GRADE & PURITY Anhydrous Grade, ≥99%

Synonyms

DTXSID6024127｜HEPTANE｜heptan-e｜Heptane, Pharmaceutical Secondary Standard; Certified Reference Material｜Heptane, for HPLC｜normal-Heptane｜H0491｜Heptane, puriss.Ph.Eur.、n-ヘプタン基準(GC)99%以上｜ヘプタン、AR、99%以上｜Q310957｜Q310957

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

DTXSID6024127｜HEPTANE｜heptan-e｜Heptane, Pharmaceutical Secondary Standard; Certified Reference Material｜Heptane, for HPLC｜normal-Heptane｜H0491｜Heptane, puriss.Ph.Eur.、n-ヘプタン基準(GC)99%以上｜ヘプタン、AR、99%以上｜Q310957｜Q310957

仕様と純度

無水, 99%以上

保管条件

Room temperature

入荷

ノーマル

等級

Anhydrous Grade

純度

≥99%

名前と識別子

パブケム・シド

504751760

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751760

カノニカル・スマイル

CCCCCCC

IUPAC Name

heptane

InChIKey

IMNFDUFMRHMDMM-UHFFFAOYSA-N

INCHI

1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

異性体SMILES

CCCCCCC

WGKドイツ

2

RTECS

MI7700000

UN番号

1206

包装グループ

II

分子量

100.2

Beilstein

1730763

Reaxy-Rn

1730763

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730763&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: a small molecule

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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.3855
• 引火点（°F）: 71.6 °F
• 引火点（°C）: (closed cup)-4℃
• 沸点（°C）: 98.4°C
• 融点（°C）: -90.7°C
• 分子量: 100.200 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 100.125 Da
• Monoisotopic Mass: 100.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 19.200
• 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