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

CAS: 19900-72-2 Cat. No.: M131831 Molecular Weight: 282.43 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Room temperature, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757405
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757405
• Canonical Smiles: 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
• Isomeric SMILES: CCC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)C)N)CC)C)N
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Acetone
• Melt Point(°C): 85 °C
• Molecular Weight: 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