3-Hydroxytyramine hydrobromide - ≥98% , CAS No.645-31-8

CAS: 645-31-8 Cat. No.: H350369 分子式: (HO)₂C₆H₃CH₂CH₂NH₂·HBr 分子量: 234.09 EC番号: 211-436-8

GRADE & PURITY ≥98%

Synonyms

4-(2-Aminoethyl)pyrocatechol hydrobromide | SGRSNYSOAPBTJP-UHFFFAOYSA-N | 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrobromide | USAF EL-47 | FT-0632741 | 4-(2-Aminoethyl)-1,2-benzenediol hydrobromide | Pyrocatechol, 4-(2-aminoethyl)-, hydrobromide | Phenethy

Shipped In

Normal

Specifications

同義語

4-(2-Aminoethyl)pyrocatechol hydrobromide | SGRSNYSOAPBTJP-UHFFFAOYSA-N | 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrobromide | USAF EL-47 | FT-0632741 | 4-(2-Aminoethyl)-1,2-benzenediol hydrobromide | Pyrocatechol, 4-(2-aminoethyl)-, hydrobromide | Phenethy

仕様と純度

≥98%

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488184662
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184662
• カノニカル・スマイル: C1=CC(=C(C=C1CCN)O)O.Br
• IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol;hydrobromide
• InChIKey: SGRSNYSOAPBTJP-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO2.BrH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H
• 異性体SMILES: C1=CC(=C(C=C1CCN)O)O.Br
• WGKドイツ: 3
• RTECS: SH2290150
• 分子量: 234.09
• Reaxy-Rn: 3698245
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3698245&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Benzenediols
        • Level5 Catechols
          • Level6 Catecholamines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Catechols
• Direct Parent: Catecholamines and derivatives
• Alternative Parents: Phenethylamines 2-arylethylamines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Catecholamine - Phenethylamine - 2-arylethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Amine - Hydrobromide - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.
• 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

化学的性質と物理的性質

• 分子量: 234.090 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.005 Da
• Monoisotopic Mass: 233.005 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 119.000
• 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

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