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

CAS: 645-31-8 Cat. No.: H350369 분자식: (HO)₂C₆H₃CH₂CH₂NH₂·HBr 분자량: 234.09 EC 번호: 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

동의어

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

사양 및 순도

≥98%

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488184662
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184662
• 정식 스마일: 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
• 이성체 SMILES: C1=CC(=C(C=C1CCN)O)O.Br
• WGK 독일: 3
• RTECS: SH2290150
• 분자량: 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
    • 분류 Phenols
      • Subclass Benzenediols
        • Level5 Catechols
          • Level6 Catecholamines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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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