1-Ethyladamantane - ≥98%(GC) , CAS No.770-69-4

CAS: 770-69-4 Cat. No.: E156170 분자식: C₁₂H₂₀ 분자량: 164.29

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS006345940 | E0417 | InChI=1/C12H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3 | 1-Ethyladamantane | 1-ethyl-adamantane | DTXSID30335019 | ethyl adamantane | Tricyclo[3.3.1.13,7]decane, 1-ethyl- | A865367 | AKOS005173949 | MFCD00142626 | LXTH

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

AKOS006345940 | E0417 | InChI=1/C12H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3 | 1-Ethyladamantane | 1-ethyl-adamantane | DTXSID30335019 | ethyl adamantane | Tricyclo[3.3.1.13,7]decane, 1-ethyl- | A865367 | AKOS005173949 | MFCD00142626 | LXTH

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 504759123
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759123
• 정식 스마일: CCC12CC3CC(C1)CC(C3)C2
• IUPAC Name: 1-ethyladamantane
• InChIKey: LXTHCCWEYOKFSR-UHFFFAOYSA-N
• INCHI: 1S/C12H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3
• 이성체 SMILES: CCC12CC3CC(C1)CC(C3)C2
• 분자량: 164.29
• Reaxy-Rn: 2037199
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2037199&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Polycyclic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Polycyclic hydrocarbons
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polycyclic hydrocarbons
• Alternative Parents: Saturated hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Polycyclic hydrocarbon - Saturated hydrocarbon - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms.
• 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

• 굴절률: 1.49
• 발화점(°C): 70 °C
• 끓는점(°C): 229°C(lit.)
• 분자량: 164.290 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 164.157 Da
• Monoisotopic Mass: 164.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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