2-Undecanone - 10mM in DMSO , CAS No.112-12-9

CAS: 112-12-9 Cat. No.: U420640 Formule: C₁₁H₂₂O Poids moléculaire: 170.29 Beilstein Registry Number: 1749573 Numéro CE: 203-937-5 PubChem CID: 8163

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

methyl n-nonylketone|Enodyl|2-UNDECANONE [FCC]|2-Methylundecanone,(S)|Ketone, methyl nonyl|METHYL N-NONYL KETONE|MOSTIQUE EGX 101|MGK dog AMP MNK|MGK Dog and Cat Repellent|2-Undecanone (natural)|Luparone|METHYL NONYL KETONE [MI]|2-Hendecanone|BioUD|Mgk dog & cat repellent|UNDECANONE|Undecanone-(2)|Methylnonylketone|Nonyl methyl ketone|UNDECANONE, 2-|Methyl nonyl ketone|Methyl-n-nonylketone|2-Oxoundecane|2-UNDECANONE [HSDB]|2-Undecanone|Undecan-2-one|2-UNDECANONE [FHFI]

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Spécifications

Synonymes

methyl n-nonylketone | Enodyl | 2-UNDECANONE [FCC] | 2-Methylundecanone,(S) | Ketone, methyl nonyl | METHYL N-NONYL KETONE | MOSTIQUE EGX 101 | MGK dog AMP MNK | MGK Dog and Cat Repellent | 2-Undecanone (natural) | Luparone | METHYL NONYL KETONE [MI] | 2-Hendecanone | BioUD | Mgk dog & cat repellent | UNDECANONE | Undecanone-(2) | Methyln Afficher plus

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

Pubchem Sid

528773472

Sourires canoniques

CCCCCCCCCC(=O)C

IUPAC Name

undecan-2-one

InChIKey

KYWIYKKSMDLRDC-UHFFFAOYSA-N

INCHI

1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

Isomères SMILES

CCCCCCCCCC(=O)C

WGK Allemagne

2

RTECS

YQ2820000

PubChem CID

8163

Poids moléculaire

170.29

Beilstein

1749573

Reaxy-Rn

1749573

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• External Descriptors: a small molecule

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

Cibles associées (non humaines)

Meloidogyne incognita (862 Activities)

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

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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

Meloidogyne javanica (98 Activities)

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

Arvicola amphibius (11 Activities)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de congélation (°C): 12 °C
• Indice de réfraction: 1.43
• Point d'éclair (°F): 192.2 °F
• Point d'éclair (°C): 88℃
• Point d'ébullition (°C): 231-232°C
• Point de fusion (°C): 11-13°C
• Poids moléculaire: 170.290 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 170.167 Da
• Monoisotopic Mass: 170.167 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 108.000
• Isotope Atom Count: 0
• 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