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

CAS: 50-80-6 Cat. No.: A193641 Formula: C₈H₉NO₂ Peso molecolare: 151.16

QUALITÀ & PUREZZA ≥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

Specifiche

Sinonimi

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 |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

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

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528761451

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Peso molecolare: 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