2-Bromoadamantane - ≥97%(GC) , CAS No.7314-85-4

CAS: 7314-85-4 Cat. No.: B133575 분자식: C₁₀H₁₅Br 분자량: 215.13 EC 번호: 230-777-3

등급 & 순도 ≥97%(GC)

Synonyms

(trans)-4-(tert-butoxycarbonylamino)cyclohexyl methanesulfonate|2-bromanyladamantane|2-Bromotricyclo[3.3.1.13.7]decane|Tricyclo[3.3.1.1(3,7)]decane, 2-bromo-|Tricyclo[3.3.1.13,7]decane, 2-bromo-|Adamantane, 2-bromo-|2-bromotricyclo[3.3.1.1~3,7~]decane|2-Adamantyl bromide|2-Bromoadamantane|Tricyclo[3.3.1.1(3,7)]decane,2-bromo-

Storage

Room temperature

Shipped In

Normal

사양

동의어

(trans)-4-(tert-butoxycarbonylamino)cyclohexyl methanesulfonate | 2-bromanyladamantane | 2-Bromotricyclo[3.3.1.13.7]decane | Tricyclo[3.3.1.1(3,7)]decane, 2-bromo- | Tricyclo[3.3.1.13,7]decane, 2-bromo- | Adamantane, 2-bromo- | 2-bromotricyclo[3.3.1.1~3,7~]decane | 2-Adamantyl bromide | 2-Bromoadamantane | Tricyclo[3.3.1.1(3,7)]decane,2-b Show more

사양 및 순도

≥97%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

528757250

정식 스마일

C1C2CC3CC1CC(C2)C3Br

IUPAC Name

2-bromoadamantane

InChIKey

RCXJARRRXOPXBC-UHFFFAOYSA-N

INCHI

1S/C10H15Br/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2

이성체 SMILES

C1C2CC3CC1CC(C2)C3Br

WGK 독일

3

분자량

215.13

Reaxy-Rn

1852721

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1852721&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
• 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(비인간)

Saccharomyces cerevisiae (19171 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility in Methanol almost transparency
• 녹는점(°C): 138-144 °C
• 분자량: 215.130 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 214.036 Da
• Monoisotopic Mass: 214.036 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• 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