2-Amino-4-methylbenzophenone - ≥98% , CAS No.4937-62-6

CAS: 4937-62-6 Cat. No.: A170578 Molecular Weight: 211.26 EC Number: 225-577-8

GRADE & PURITY ≥98%

Synonyms

4-methyl-2-aminobenzophenone | AKOS015917730 | SCHEMBL145078 | (2-amino-4-methylphenyl)-phenylmethanone | 2-Amino-4-methylbenzophenone | 2-Amino-4-Methyl-Benzophenone | Z1509383283 | (2-Amino-4-methylphenyl)(phenyl)methanone | SB79437 | DTXSID10197778

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

4-methyl-2-aminobenzophenone | AKOS015917730 | SCHEMBL145078 | (2-amino-4-methylphenyl)-phenylmethanone | 2-Amino-4-methylbenzophenone | 2-Amino-4-Methyl-Benzophenone | Z1509383283 | (2-Amino-4-methylphenyl)(phenyl)methanone | SB79437 | DTXSID10197778

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)N
• IUPAC Name: (2-amino-4-methylphenyl)-phenylmethanone
• InChIKey: YINYAGBOKBLJHY-UHFFFAOYSA-N
• INCHI: 1S/C14H13NO/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3
• Isomeric SMILES: CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)N
• WGK Germany: 3
• Molecular Weight: 211.26
• Reaxy-Rn: 2805132
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2805132&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Aniline and substituted anilines Aminotoluenes Vinylogous amides Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Aniline or substituted anilines - Aminotoluene - Toluene - Vinylogous amide - Ketone - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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: light sensitive
• Melt Point(°C): 65-66 °C
• Molecular Weight: 211.260 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.1 Da
• Monoisotopic Mass: 211.1 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 245.000
• 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