4,4'-Methylenebis(N-(sec-butyl)aniline) - ≥97% , CAS No.5285-60-9

CAS: 5285-60-9 Cat. No.: M589373 Molecular Weight: 310.48 EC Number: 226-122-6

GRADE & PURITY ≥97%

Synonyms

Benzenamine, 4,4'-methylenebis(N-(1-methylpropyl)- | 4,4'-Methylenebis[N-(1-methylpropyl)benzenamine | Benzenamine, 4,4'-methylenebis[N-(1-methylpropyl)- | DTXSID9041499 | 4,4'-Methylenebis(N-sec-butylaniline) | AKOS028108484 | N,N'-di(2-butyl)-4,4'-methy

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Benzenamine, 4, 4'-methylenebis(N-(1-methylpropyl)- | 4, 4'-Methylenebis[N-(1-methylpropyl)benzenamine | Benzenamine, 4, 4'-methylenebis[N-(1-methylpropyl)- | DTXSID9041499 | 4, 4'-Methylenebis(N-sec-butylaniline) | AKOS028108484 | N, N'-di(2-butyl)-4, 4'-methy

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504756669
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756669
• Canonical Smiles: CCC(C)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(C)CC
• IUPAC Name: N-butan-2-yl-4-[[4-(butan-2-ylamino)phenyl]methyl]aniline
• InChIKey: YZZTZUHVGICSCS-UHFFFAOYSA-N
• INCHI: 1S/C21H30N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h7-14,16-17,22-23H,5-6,15H2,1-4H3
• Isomeric SMILES: CCC(C)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(C)CC
• Molecular Weight: 310.48
• Reaxy-Rn: 2743497
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2743497&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: Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - 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 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

• Sensitivity: air sensitive
• Molecular Weight: 310.500 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 310.241 Da
• Monoisotopic Mass: 310.241 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 271.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1