2,3-Dimethylbutane - analytical standard, ≥99.9%(GC) , CAS No.79-29-8

CAS: 79-29-8 Cat. No.: D106277 Formula: C₆H₁₄ Peso molecolare: 86.18 Beilstein Registry Number: 1730737 Numero EC: 201-193-6

QUALITÀ & PUREZZA Analytical standard, ≥99.9%(GC)

Synonyms

2,3-DIMETHYLBUTANE|79-29-8|Diisopropyl|Biisopropyl|Butane, 2,3-dimethyl-|1,1,2,2-Tetramethylethane|(CH3)2CHCH(CH3)2|DTXSID9025112|68ISQ7A432|NSC-24837|HSDB 76|CCRIS 6020|EINECS 201-193-6|NSC 24837|UN2457|diisopropyl-|UNII-68ISQ7A432|Butane, 2,3-dimethyl-;

Storage

Room temperature

Shipped In

FedEx DG Service

Specifiche

Sinonimi

2,3-DIMETHYLBUTANE | 79-29-8 | Diisopropyl | Biisopropyl | Butane, 2,3-dimethyl- | 1,1,2,2-Tetramethylethane | (CH3)2CHCH(CH3)2 | DTXSID9025112 | 68ISQ7A432 | NSC-24837 | HSDB 76 | CCRIS 6020 | EINECS 201-193-6 | NSC 24837 | UN2457 | diisopropyl- | UNII-68ISQ7A432 | Butane, 2,3-dimethyl-;

Specifiche e purezza

analytical standard, ≥99.9%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Grado

Standard analitico

Purezza

≥99.9%(GC)

Nomi e identificatori

Pubchem Sid

528755300

Sorrisi canonici

CC(C)C(C)C

IUPAC Name

2,3-dimethylbutane

InChIKey

ZFFMLCVRJBZUDZ-UHFFFAOYSA-N

INCHI

1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3

Isomeri SMILES

CC(C)C(C)C

WGK Germania

3

RTECS

EJ9350000

Numero UN

2457

Gruppo di imballaggio

II

Peso molecolare

86.18

Beilstein

1730737

Reaxy-Rn

1730737

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730737&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: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Descrizione: 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

Obiettivi associati (umani)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.374-1.376
• Punto di infiammabilità (°F): -20.2 °F
• Punto di infiammabilità (°C): -29 °C
• Punto di ebollizione (°C): 58°C
• Punto di fusione (°C): -129°C
• Peso molecolare: 86.180 g/mol
• XLogP3: 3.400
• 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: 21.000
• 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