Nonane - analytical standard, ≥99.8%(GC) , CAS No.111-84-2

CAS: 111-84-2 Cat. No.: N103393 분자식: C₉H₂₀ 분자량: 128.26 Beilstein Registry Number: 1(4)447 EC 번호: 203-913-4

GRADE & PURITY Analytical standard, ≥99.8%(GC)

Synonyms

NONANE|n-Nonane|111-84-2|Shellsol 140|Nonyl hydride|nonan|Iotrochotin|CCRIS 6081|HSDB 107|Lodyne S|EINECS 203-913-4|UNII-T9W3VH6G10|NSC 72430|T9W3VH6G10|DTXSID9025796|n-nonane-d20|CHEBI:32892|Lodyne S 100|NSC-72430|NONANE-5-C12|DTXCID005796|EC 203-913-4|6

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

NONANE | n-Nonane | 111-84-2 | Shellsol 140 | Nonyl hydride | nonan | Iotrochotin | CCRIS 6081 | HSDB 107 | Lodyne S | EINECS 203-913-4 | UNII-T9W3VH6G10 | NSC 72430 | T9W3VH6G10 | DTXSID9025796 | n-nonane-d20 | CHEBI:32892 | Lodyne S 100 | NSC-72430 | NONANE-5-C12 | DTXCID005796 | EC 203-913-4 | 6

사양 및 순도

analytical standard, ≥99.8%(GC)

보관 조건

Room temperature

배송

FedEx DG Service

등급

분석 표준물질

순수함

≥99.8%(GC)

이름과 식별자

Pubchem Sid

528772319

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528772319

정식 스마일

CCCCCCCCC

IUPAC Name

nonane

InChIKey

BKIMMITUMNQMOS-UHFFFAOYSA-N

INCHI

1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3

이성체 SMILES

CCCCCCCCC

RTECS

RA6115000

UN 번호

1920

포장 그룹

III

분자량

128.26

Beilstein

1(4)447

Reaxy-Rn

1696917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696917&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: 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
• 설명: 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

관련 대상(인간)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water, soluble in ethanol and ether, miscible in benzene, acetone and chloroform.
• 굴절률: 1.4
• 발화점(°F): 87.8 °F
• 발화점(°C): 31°C(lit.)
• 끓는점(°C): 151°C
• 녹는점(°C): -53°C
• 분자량: 128.250 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• 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: 33.300
• 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