2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride - ≥98% , CAS No.42036-65-7

CAS: 42036-65-7 Cat. No.: B135136 Formula: C₉H₁₇NO.HCl Peso molecolare: 191.7 Numero EC: 700-355-8

QUALITÀ & PUREZZA ≥98%

Synonyms

W-106380 | (2RS)-2-[(Dimethylamino)methyl]cyclohexanone Hydrochloride | 2-(Bismethyl)aminomethylcyclohexanone Hydrochloride | SCHEMBL3120247 | (2rs)-2-((dimethylamino)methyl)cyclohexanone hydrochloride | 2-((Dimethylamino)methyl)cyclohexanonehydrochloride

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifiche

Sinonimi

W-106380 | (2RS)-2-[(Dimethylamino)methyl]cyclohexanone Hydrochloride | 2-(Bismethyl)aminomethylcyclohexanone Hydrochloride | SCHEMBL3120247 | (2rs)-2-((dimethylamino)methyl)cyclohexanone hydrochloride | 2-((Dimethylamino)methyl)cyclohexanonehydrochloride

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508808044

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808044

Sorrisi canonici

CN(C)CC1CCCCC1=O.Cl

IUPAC Name

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

InChIKey

CLVHTSWMNNSUSH-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CN(C)CC1CCCCC1=O.Cl

Peso molecolare

191.7

Reaxy-Rn

3913752

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3913752&ln=

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 Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Tertiary aliphatic amine - Ketone - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrizione: 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

Obiettivi associati (umani)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Obiettivi associati (non umani)

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility in water: soluble in water Solubility in other solvents: soluble in methanol, ethanol Origin synthetic
• Sensibilità: Moisture sensitive.
• Peso molecolare: 191.700 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.108 Da
• Monoisotopic Mass: 191.108 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 12
• 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: 2

XLogP3