Clorhidrato de xilazol - ≥98% , CAS No.123941-49-1

CAS: 123941-49-1 Cat. No.: X695694 Peso molecular: 240.75 PubChem CID: 130075

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=CC=C1)C)NC2=NC=CS2.Cl
• IUPAC Name: N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
• InChIKey: HCHSCHUMEPRVGC-UHFFFAOYSA-N
• INCHI: 1S/C11H12N2S.ClH/c1-8-4-3-5-9(2)10(8)13-11-12-6-7-14-11;/h3-7H,1-2H3,(H,12,13);1H
• Isómeros SMILES: CC1=C(C(=CC=C1)C)NC2=NC=CS2.Cl
• PubChem CID: 130075
• Peso molecular: 240.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: m-Xylenes
• Alternative Parents: Aniline and substituted anilines 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: M-xylene - Aniline or substituted anilines - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Amine - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
• 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

Propiedades químicas y físicas

• Peso molecular: 240.750 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.049 Da
• Monoisotopic Mass: 240.049 Da
• Topological Polar Surface Area: 53.200 Ų
• Heavy Atom Count: 15
• 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: 2

XLogP3