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

CAS: 15409-60-6 Cat. No.: C635653 분자식: C₉H₁₇NO 분자량: 155.24 EC 번호: 239-422-7

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥95%

이름과 식별자

정식 스마일

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

이성체 SMILES

CN(C)CC1CCCCC1=O

대체 CAS

15409-60-6；42036-65-7

NSC 번호

222825

UN 번호

UN 2920

포장 그룹

II

분자량

155.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: light sensitive
• 분자량: 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