Di-p-tolylamine - ≥97% , CAS No.620-93-9

CAS: 620-93-9 Cat. No.: D102485 Molecular Weight: 197.28 Beilstein Registry Number: 12(3)2033 EC Number: 210-659-8

GRADE & PURITY ≥97%

Synonyms

4,4'-Dimethyldiphenylamine | 4,4-Dimethyldiphenylamine | GS-3443 | N,N-di(p-toluyl)amine | bis(4-tolyl) amine | IFLab1_001787 | HMS1417B05 | 4,4`-Dimethyldiphenylamine | 4-Methyl-N-(4-methylphenyl)aniline | SY005743 | EINECS 210-659-8 | A833581 | Benzenam

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

4,4'-Dimethyldiphenylamine is a reagent used in the comparative studies of the analgesic and anti-inflammatory properties of N-phenylanthranilic acids and mefenamic acid, and the anti parasitic activities of some substituted diphenylamines.

Specifications

Synonyms

4, 4'-Dimethyldiphenylamine | 4, 4-Dimethyldiphenylamine | GS-3443 | N, N-di(p-toluyl)amine | bis(4-tolyl) amine | IFLab1_001787 | HMS1417B05 | 4, 4`-Dimethyldiphenylamine | 4-Methyl-N-(4-methylphenyl)aniline | SY005743 | EINECS 210-659-8 | A833581 | Benzenam

Specifications & Purity

≥97%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504754360
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754360
• Canonical Smiles: CC1=CC=C(C=C1)NC2=CC=C(C=C2)C
• IUPAC Name: 4-methyl-N-(4-methylphenyl)aniline
• InChIKey: RHPVVNRNAHRJOQ-UHFFFAOYSA-N
• INCHI: 1S/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
• Isomeric SMILES: CC1=CC=C(C=C1)NC2=CC=C(C=C2)C
• WGK Germany: 3
• Molecular Weight: 197.28
• Beilstein: 12(3)2033
• Reaxy-Rn: 2210252
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210252&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Secondary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

• Solubility: Soluble in methanol
• Sensitivity: Light&Air sensitive
• Boil Point(°C): 330°C
• Melt Point(°C): 78-82°C
• Molecular Weight: 197.270 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.12 Da
• Monoisotopic Mass: 197.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 154.000
• 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