2-[(dimethylamino)methyl]cyclohexanone - ≥95% , CAS No.15409-60-6

CAS: 15409-60-6 Cat. No.: C635653 分子式: C₉H₁₇NO 分子量: 155.24 EC番号: 239-422-7

グレード＆純度 ≥95%

Synonyms

(+/-) 2-((dimethylamino)methyl) cyclohexanone | EPO 906 | AKOS016050357 | STK791101 | UNII-O3VOU3H9VS | 2-(Bismethyl)aminomethylcyclohexanone | 2-(Dimethylaminomethyl)cyclohexanone | 2-(dimethylaminomethyl)-cyclohexanone | 2-[(Dimethylamino)methyl]cyclohe

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

仕様

同義語

(+/-) 2-((dimethylamino)methyl) cyclohexanone | EPO 906 | AKOS016050357 | STK791101 | UNII-O3VOU3H9VS | 2-(Bismethyl)aminomethylcyclohexanone | 2-(Dimethylaminomethyl)cyclohexanone | 2-(dimethylaminomethyl)-cyclohexanone | 2-[(Dimethylamino)methyl]cyclohe

仕様と純度

≥95%

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

≥95%

名前と識別子

カノニカル・スマイル

CN(C)CC1CCCCC1=O

IUPAC Name

2-[(dimethylamino)methyl]cyclohexan-1-one

InChIKey

QDHLEFBSGUGHCL-UHFFFAOYSA-N

INCHI

1S/C9H17NO/c1-10(2)7-8-5-3-4-6-9(8)11/h8H,3-7H2,1-2H3

異性体SMILES

CN(C)CC1CCCCC1=O

代替CAS番号

15409-60-6；42036-65-7

NSC番号

222825

UN番号

UN 2920

包装グループ

II

分子量

155.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Cyclic ketones Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Tertiary aliphatic amine - Ketone - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• 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
• 分子量: 155.240 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 155.131 Da
• Monoisotopic Mass: 155.131 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1