2,2-Dimethylbutane - Standard for GC, ≥99.5%(GC) , CAS No.75-83-2

CAS: 75-83-2 Cat. No.: D105773 분자식: C₆H₁₄ 분자량: 86.18 Beilstein Registry Number: 1730736 EC 번호: 200-906-8

등급 & 순도 Standard for GC, ≥99.5%(GC)

Synonyms

2,2-DIMETHYLBUTANE|Neohexane|75-83-2|Butane, 2,2-dimethyl-|2,2-Dimethyl-butane|DTXSID4025111|07L56L3MP2|NSC-74126|HSDB 75|CCRIS 6019|EINECS 200-906-8|NSC 74126|UNII-07L56L3MP2|AI3-16043|Butane,2-dimethyl-|,2-DIMETHYLBUTANE|2,2-Dimethylbutane, 99%|(CH3)3CC

Storage

Room temperature

Shipped In

FedEx DG Service

사양

동의어

2,2-DIMETHYLBUTANE | Neohexane | 75-83-2 | Butane, 2,2-dimethyl- | 2,2-Dimethyl-butane | DTXSID4025111 | 07L56L3MP2 | NSC-74126 | HSDB 75 | CCRIS 6019 | EINECS 200-906-8 | NSC 74126 | UNII-07L56L3MP2 | AI3-16043 | Butane,2-dimethyl- | ,2-DIMETHYLBUTANE | 2,2-Dimethylbutane, 99% | (CH3)3CC

사양 및 순도

Standard for GC, ≥99.5%(GC)

보관 조건

Room temperature

배송

FedEx DG Service

등급

Standard for GC

순수함

≥99.5%(GC)

이름과 식별자

Pubchem Sid

508808578

정식 스마일

CCC(C)(C)C

IUPAC Name

2,2-dimethylbutane

InChIKey

HNRMPXKDFBEGFZ-UHFFFAOYSA-N

INCHI

1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3

이성체 SMILES

CCC(C)(C)C

WGK 독일

3

UN 번호

1208

포장 그룹

II

분자량

86.18

Beilstein

1730736

Reaxy-Rn

1730736

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730736&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: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• External Descriptors: Not available

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.3675-1.3695
• 발화점(°F): -20.2 °F
• 발화점(°C): -48.℃
• 끓는점(°C): 50°C
• 녹는점(°C): -100 °C
• 분자량: 86.180 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 86.1096 Da
• Monoisotopic Mass: 86.1096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 29.800
• 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