N-Ethyl-p-menthane-3-carboxamide - ≥98% , CAS No.39711-79-0

CAS: 39711-79-0 Cat. No.: E111238 Peso molecular: 211.34 Número EC: 254-599-0

GRADE & PURITY ≥98%

Synonyms

6S7S02945H | DTXSID5047039 | N-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamide | N-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamide, 99%, FG | Tox21_302336 | W-100 | ETHYL-2-ISOPROPYL-5-METHYLCYCLOHEXANE CARBOXAMIDE [FHFI] | SCHEMBL33290 | ETHYL MENTHANE

Storage

Room temperature

Shipped In

Normal

Descripción general

N-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamide is a food additive.

Specifications

Sinónimos

6S7S02945H | DTXSID5047039 | N-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamide | N-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamide, 99%, FG | Tox21_302336 | W-100 | ETHYL-2-ISOPROPYL-5-METHYLCYCLOHEXANE CARBOXAMIDE [FHFI] | SCHEMBL33290 | ETHYL MENTHANE

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Cooling agent that is an agonist at TRPM8 receptors (EC50= 3.7μM).

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488183620
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183620
• Sonrisas canónicas: CCNC(=O)C1CC(CCC1C(C)C)C
• IUPAC Name: N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
• InChIKey: VUNOFAIHSALQQH-UHFFFAOYSA-N
• INCHI: 1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)
• Isómeros SMILES: CCNC(=O)C1CC(CCC1C(C)C)C
• WGK Alemania: 2
• Peso molecular: 211.34
• Reaxy-Rn: 2093252
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2093252&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
• 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

Objetivos asociados (humanos)

TRPM8 Tclin Transient receptor potential cation channel subfamily M member 8 (0 Activities)

Discover Target: TRPM8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 21.13, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 21.13, Max Conc. mM: 100
• Rotación específica [α]: -52 ° (C=1, MeOH)
• Punto de fusión (°C): 91-98°C
• Peso molecular: 211.340 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 211.194 Da
• Monoisotopic Mass: 211.194 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 213.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Shu Tian, Xiaoya Wang, Chenchen Wang, Liqun Li, Wei Wei.  (2023)  Highly sensitive and label-free electrochemical sensor for menthol detection.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.jelechem.2023.117540]