Hexadecane solution - analytical standard, 1000ug/ml in methanol , CAS No.544-76-3

CAS: 544-76-3 Cat. No.: A117437 Formule: C₁₆H₃₄ Poids moléculaire: 226.44 Beilstein Registry Number: 1736592 Numéro CE: 208-878-9

GRADE & PURITY Analytical standard, 1000ug/ml in methanol

Synonyms

HEXADECANE [HSDB] | EC 208-878-9 | hexadecan | Cetan | Hexadecane, p.a., 99% | Hexadecane, analytical standard | SY010655 | Pentadecane, methyl- | STL453674 | UNII-F8Z00SHP6Q | CHEBI:45296 | D97389 | Hexadecane-1-D 98 atom % d | S0288 | HEXADECANE [INCI]

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

HEXADECANE [HSDB] | EC 208-878-9 | hexadecan | Cetan | Hexadecane, p.a., 99% | Hexadecane, analytical standard | SY010655 | Pentadecane, methyl- | STL453674 | UNII-F8Z00SHP6Q | CHEBI:45296 | D97389 | Hexadecane-1-D 98 atom % d | S0288 | HEXADECANE [INCI]

Spécifications et pureté

analytical standard, 1000ug/ml in methanol

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Étalon d'analyse

Noms et identifiants

Pubchem Sid

528772317

Sourires canoniques

CCCCCCCCCCCCCCCC

IUPAC Name

hexadecane

InChIKey

DCAYPVUWAIABOU-UHFFFAOYSA-N

INCHI

1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

Isomères SMILES

CCCCCCCCCCCCCCCC

WGK Allemagne

3

RTECS

ML9200000

Poids moléculaire

226.44

Beilstein

1736592

Reaxy-Rn

1736592

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736592&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: an alkane

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)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.4345
• Point d'éclair (°C): (closed cup)135℃
• Point d'ébullition (°C): 287°C
• Point de fusion (°C): 18.17°C
• Poids moléculaire: 226.440 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 13
• Exact Mass: 226.266 Da
• Monoisotopic Mass: 226.266 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 92.600
• 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