Pentadecane - ≥98% , CAS No.629-62-9

CAS: 629-62-9 Cat. No.: P103403 분자식: C₁₅H₃₂ 분자량: 212.41 Beilstein Registry Number: 1698194 EC 번호: 211-098-1

등급 & 순도 ≥98%

Synonyms

Pentadecane; NSC 172781; n-Pentadecane|Pentadecane, n-|dipentylfumarate|N-PENTADECANE|Pentadecane_Ramanathan &Gurudeeban|UNII: 16H6K2S8M2|PENTADECANE [INCI]|Medicinal Plant|Pentadekan|ghl.PD_Mitscher_leg0.43|PENTADECANE (N)|1-Penfadecane,(S)|pentadecan|N-PENTADECANE [HSDB]|Pentadecane

Storage

Room temperature

Shipped In

Normal

사양

동의어

Pentadecane; NSC 172781; n-Pentadecane | Pentadecane, n- | dipentylfumarate | N-PENTADECANE | Pentadecane_Ramanathan &Gurudeeban | UNII: 16H6K2S8M2 | PENTADECANE [INCI] | Medicinal Plant | Pentadekan | ghl.PD_Mitscher_leg0.43 | PENTADECANE (N) | 1-Penfadecane,(S) | pentadecan | N-PENTADECANE [HSDB] | Pentadecane

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504752323

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752323

정식 스마일

CCCCCCCCCCCCCCC

IUPAC Name

pentadecane

InChIKey

YCOZIPAWZNQLMR-UHFFFAOYSA-N

INCHI

1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3

이성체 SMILES

CCCCCCCCCCCCCCC

WGK 독일

3

RTECS

RZ1800000

UN 번호

1993

포장 그룹

I

분자량

212.41

Beilstein

1698194

Reaxy-Rn

1698194

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698194&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: 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

관련 대상(인간)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in alcohol, ethanol, and ethyl ether. Insoluble in water.Immiscible with water.
• 굴절률: 1.4315
• 발화점(°F): 269.6 °F
• 발화점(°C): （closed cup）130℃
• 끓는점(°C): 270.5°C
• 녹는점(°C): 10°C
• 분자량: 212.410 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 12
• Exact Mass: 212.25 Da
• Monoisotopic Mass: 212.25 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 84.200
• 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