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

CAS: 111-84-2 Cat. No.: N103393 Formule: C₉H₂₀ Poids moléculaire: 128.26 Beilstein Registry Number: 1(4)447 Numéro CE: 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

Synonymes

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

Spécifications et pureté

analytical standard, ≥99.8%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Étalon d'analyse

Pureté

≥99.8%(GC)

Noms et identifiants

Pubchem Sid

528772319

Pubchem Sid Url

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

Sourires canoniques

CCCCCCCCC

IUPAC Name

nonane

InChIKey

BKIMMITUMNQMOS-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

CCCCCCCCC

RTECS

RA6115000

Numéro ONU

1920

Groupe d'emballage

III

Poids moléculaire

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
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, soluble in ethanol and ether, miscible in benzene, acetone and chloroform.
• Indice de réfraction: 1.4
• Point d'éclair (°F): 87.8 °F
• Point d'éclair (°C): 31°C(lit.)
• Point d'ébullition (°C): 151°C
• Point de fusion (°C): -53°C
• Poids moléculaire: 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