GRADE & PURITY 10mM in DMSO

Synonyms

1-naphthalene sulfonyl chloride | BETAHISTINE MESILATE [WHO-DD] | Tenyl | methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine | Riptonin | HY-D0237 | Merislon | Q27252204 | Suzutolon (TN) | s5498 | 2-(Ethylammonio)-N-methylpyridinium dimethanesulphonat

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

1-naphthalene sulfonyl chloride | BETAHISTINE MESILATE [WHO-DD] | Tenyl | methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine | Riptonin | HY-D0237 | Merislon | Q27252204 | Suzutolon (TN) | s5498 | 2-(Ethylammonio)-N-methylpyridinium dimethanesulphonat

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CNCCC1=CC=CC=N1.CS(=O)(=O)O.CS(=O)(=O)O
• IUPAC Name: methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine
• InChIKey: ZBJJDYGJCNTNTH-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2.2CH4O3S/c1-9-7-5-8-4-2-3-6-10-8;2*1-5(2,3)4/h2-4,6,9H,5,7H2,1H3;2*1H3,(H,2,3,4)
• Isómeros SMILES: CNCCC1=CC=CC=N1.CS(=O)(=O)O.CS(=O)(=O)O
• RTECS: UT2970200
• CAS alternativo: 5638-76-6；54856-23-4
• Peso molecular: 328.4
• Reaxy-Rn: 13820961
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13820961&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Pyridines and derivatives Sulfonyls Organosulfonic acids Methanesulfonates Heteroaromatic compounds Alkanesulfonic acids Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Aralkylamine - Pyridine - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Heteroaromatic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Organic oxygen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 112.0to115.0℃
• Peso molecular: 328.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 328.076 Da
• Monoisotopic Mass: 328.076 Da
• Topological Polar Surface Area: 150.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 176.000
• 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: 3

XLogP3