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

CAS: 15409-60-6 Cat. No.: C635653 Formule: C₉H₁₇NO Poids moléculaire: 155.24 Numéro CE: 239-422-7

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

CN(C)CC1CCCCC1=O

CAS alternatif

15409-60-6；42036-65-7

Numéro NSC

222825

Numéro ONU

UN 2920

Groupe d'emballage

II

Poids moléculaire

155.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Poids moléculaire: 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