5-Amino-2-hydroxyacetophenone - ≥98% , CAS No.50-80-6

CAS: 50-80-6 Cat. No.: A193641 Formule: C₈H₉NO₂ Poids moléculaire: 151.16

QUALITÉ & PURETÉ ≥98%

Synonyms

SB76605 | SXLHPBDGZHWKSX-UHFFFAOYSA-N | 1- (5-Amino-2-hydroxy-phenyl)-ethanone | MFCD00100397 | STK936287 | 1-(5-amino-2-hydroxyphenyl)ethan-1-one | TS-01989 | BCP33687 | FT-0738044 | AKOS005665772 | DTXSID20379462 | SCHEMBL3373646 | BBL028200 | F50472 |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

SB76605 | SXLHPBDGZHWKSX-UHFFFAOYSA-N | 1- (5-Amino-2-hydroxy-phenyl)-ethanone | MFCD00100397 | STK936287 | 1-(5-amino-2-hydroxyphenyl)ethan-1-one | TS-01989 | BCP33687 | FT-0738044 | AKOS005665772 | DTXSID20379462 | SCHEMBL3373646 | BBL028200 | F50472 |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528761451

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528761451

Sourires canoniques

CC(=O)C1=C(C=CC(=C1)N)O

IUPAC Name

1-(5-amino-2-hydroxyphenyl)ethanone

InChIKey

SXLHPBDGZHWKSX-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,9H2,1H3

Isomères SMILES

CC(=O)C1=C(C=CC(=C1)N)O

Poids moléculaire

151.16

Reaxy-Rn

2208138

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208138&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones p-Aminophenols Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aminophenol - Benzoyl - Aryl alkyl ketone - Aniline or substituted anilines - P-aminophenol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic nitrogen compound - Primary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 151.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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: 1