2'-Amino-3'-hydroxyacetophenone - ≥98% , CAS No.4502-10-7

CAS: 4502-10-7 Cat. No.: A151688 Formula: C₈H₉NO₂ Molecular Weight: 151.17 EC Number: 672-768-0

GRADE & PURITY ≥98%

Synonyms

Q27262494 | 1-(2-amino-3-hydroxyphenyl)ethan-1-one | 2'-Amino-3'-hydroxyacetophenone | 2-Amino-3-hydroxyacetophenone | DIIASMSSGMRMQF-UHFFFAOYSA-N | 5KRH9WZ359 | SCHEMBL120305 | MFCD00191301 | PD192516 | DS-2381 | UNII-5KRH9WZ359 | 2-Amino-3-hydroxyphenyl

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Q27262494 | 1-(2-amino-3-hydroxyphenyl)ethan-1-one | 2'-Amino-3'-hydroxyacetophenone | 2-Amino-3-hydroxyacetophenone | DIIASMSSGMRMQF-UHFFFAOYSA-N | 5KRH9WZ359 | SCHEMBL120305 | MFCD00191301 | PD192516 | DS-2381 | UNII-5KRH9WZ359 | 2-Amino-3-hydroxyphenyl

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488182632

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182632

Canonical Smiles

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

IUPAC Name

1-(2-amino-3-hydroxyphenyl)ethanone

InChIKey

DIIASMSSGMRMQF-UHFFFAOYSA-N

INCHI

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

Isomeric SMILES

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

RTECS

AM5950000

Molecular Weight

151.17

Reaxy-Rn

2803088

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803088&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones o-Aminophenols Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides 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 - O-aminophenol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organonitrogen compound - Amine - 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• x_melt_point_char: 182℃
• Molecular Weight: 151.160 g/mol
• XLogP3: 1.100
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4502-10-7, the molecular formula is C8H9NO2, and the molecular weight is 151.17 g/mol. InChIKey DIIASMSSGMRMQF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.