4,4’-Methylene-bis(2-methyl-6-ethylaniline) - ≥98% , CAS No.19900-72-2

CAS: 19900-72-2 Cat. No.: M131831 Peso molecular: 282.43 Número EC: 672-703-6

GRADE & PURITY ≥98%

Synonyms

4,4'-Methylenebis(2-ethyl-6-methylbenzenamine) | FT-0617693 | SCHEMBL48397 | FT-0637923 | Q27253733 | 4,4'-Diamino-3,3'-diethyl-5,5'-dimethyldiphenylmethane | 4,4'-Methylenebis-(5-ethyl-2-methylbenzenamine) | 3,3'-diethyl-5,5'-dimethyl-4,4'-diaminodipheny

Storage

Room temperature,Cool

Shipped In

Normal

Specifications

Sinónimos

4, 4'-Methylenebis(2-ethyl-6-methylbenzenamine) | FT-0617693 | SCHEMBL48397 | FT-0637923 | Q27253733 | 4, 4'-Diamino-3, 3'-diethyl-5, 5'-dimethyldiphenylmethane | 4, 4'-Methylenebis-(5-ethyl-2-methylbenzenamine) | 3, 3'-diethyl-5, 5'-dimethyl-4, 4'-diaminodipheny

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Cool

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757405
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757405
• Sonrisas canónicas: CCC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)C)N)CC)C)N
• IUPAC Name: 4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline
• InChIKey: QJENIOQDYXRGLF-UHFFFAOYSA-N
• INCHI: 1S/C19H26N2/c1-5-16-10-14(7-12(3)18(16)20)9-15-8-13(4)19(21)17(6-2)11-15/h7-8,10-11H,5-6,9,20-21H2,1-4H3
• Isómeros SMILES: CCC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)C)N)CC)C)N
• Peso molecular: 282.43
• Reaxy-Rn: 2864179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2864179&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aniline and substituted anilines Aminotoluenes Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aminotoluene - Aniline or substituted anilines - Toluene - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Acetone
• Punto de fusión (°C): 85 °C
• Peso molecular: 282.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 282.21 Da
• Monoisotopic Mass: 282.21 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 287.000
• 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