1,2,3-Trimethylcyclohexane - ≥95%(mixture of isomers) , CAS No.1678-97-3

CAS: 1678-97-3 Cat. No.: T161697 분자식: C₉H₁₈ 분자량: 126.24 EC 번호: 216-838-7

GRADE & PURITY ≥95%(mixture of isomers)

Synonyms

BAA67897 | Cyclohexane, 1,2,3-trimethyl-, cis | cis-1,2,3-Trimethylcyclohexane | 1,2,3-TRIMETHYLCYCLOHEXANE | T71900 | Cyclohexane, 1,2,3-trimethyl-, (1.alpha.,2.alpha.,3.alpha.)- | DTXSID10862732 | T0824 | Cyclohexane, 1,2,3-trimethyl- | 1,2,3-Trimethylc

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

BAA67897 | Cyclohexane, 1,2,3-trimethyl-, cis | cis-1,2,3-Trimethylcyclohexane | 1,2,3-TRIMETHYLCYCLOHEXANE | T71900 | Cyclohexane, 1,2,3-trimethyl-, (1.alpha.,2.alpha.,3.alpha.)- | DTXSID10862732 | T0824 | Cyclohexane, 1,2,3-trimethyl- | 1,2,3-Trimethylc

사양 및 순도

≥95%(mixture of isomers)

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥95%(mixture of isomers)

이름과 식별자

Pubchem Sid

528753589

정식 스마일

CC1CCCC(C1C)C

IUPAC Name

1,2,3-trimethylcyclohexane

InChIKey

DQTVJLHNWPRPPH-UHFFFAOYSA-N

INCHI

1S/C9H18/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3

이성체 SMILES

CC1CCCC(C1C)C

UN 번호

3295

포장 그룹

II

분자량

126.24

Reaxy-Rn

1900461

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Saturated hydrocarbons
• Subclass: Cycloalkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloalkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkane - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• 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

화학 및 물리적 특성

• 끓는점(°C): 151°C(lit.)
• 분자량: 126.240 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 126.141 Da
• Monoisotopic Mass: 126.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 76.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1