1-Hexan-d₁₃-ol - ≥98 atom% D,≥99% , CAS No.204244-84-8

CAS: 204244-84-8 Cat. No.: H464689 分子式: CD₃(CD₂)₄CD₂OH 分子量: 115.25 EC番号: 693-221-2

GRADE & PURITY ≥98 atom% D,≥99%

Synonyms

D98840 | n-hexyl-d13 alcohol | (~2~H_13_)Hexan-1-ol | 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexan-1-ol | 1-Hexanol-d13 | 1-Hexan-1,1,2,2,3,3,4,4,5,5,6,6,6-d13-ol(9CI) | (H)hexan-1-ol | d13-1-hexanol | J-013300 | SCHEMBL1330602 | DTXSID30583730 | HY-W03

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

同義語

D98840 | n-hexyl-d13 alcohol | (~2~H_13_)Hexan-1-ol | 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexan-1-ol | 1-Hexanol-d13 | 1-Hexan-1,1,2,2,3,3,4,4,5,5,6,6,6-d13-ol(9CI) | (H)hexan-1-ol | d13-1-hexanol | J-013300 | SCHEMBL1330602 | DTXSID30583730 | HY-W03

仕様と純度

≥98 atom% D,≥99%

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98 atom% D,≥99%

名前と識別子

• カノニカル・スマイル: CCCCCCO
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexan-1-ol
• InChIKey: ZSIAUFGUXNUGDI-UTBWLCBWSA-N
• INCHI: 1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2
• 異性体SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
• 代替CAS番号: 111-27-3(unlabelled)
• UN番号: 2282
• 分子量: 115.25
• Reaxy-Rn: 969167
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969167&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon 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

化学的性質と物理的性質

• 感度: Light sensitive；Moisture sensitive
• 屈折率: n20/D 1.414 (lit.)
• 引火点（°F）: 138.2 °F - closed cup
• 引火点（°C）: 59.00 °C - closed cup
• 沸点（°C）: 156.5℃ (lit.)
• 融点（°C）: −52℃ (lit.)
• 分子量: 115.250 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 115.186 Da
• Monoisotopic Mass: 115.186 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 27.400
• Isotope Atom Count: 13
• 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