2,2-Bis[4-(4-aminophenoxy)phenyl]propane（BAPP） - ≥98% , CAS No.13080-86-9

CAS: 13080-86-9 Cat. No.: B100800 Molecular Weight: 410.51 EC Number: 235-985-8

GRADE & PURITY ≥98%

Synonyms

NSC5453 | Bis(4-(4-aminophenoxy)phenyl)dimethyl methane | 4-(4-(1-[4-(4-Aminophenoxy)phenyl]-1-methylethyl)phenoxy)aniline # | 4,4'-((1-Methylethylidene)bis(4,1-phenyleneoxy))bisbenzenamine | 4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))dianiline |

Storage

Room temperature

Shipped In

Normal

Overview

It is applied in pharmaceutical industry.

Specifications

Synonyms

NSC5453 | Bis(4-(4-aminophenoxy)phenyl)dimethyl methane | 4-(4-(1-[4-(4-Aminophenoxy)phenyl]-1-methylethyl)phenoxy)aniline # | 4, 4'-((1-Methylethylidene)bis(4, 1-phenyleneoxy))bisbenzenamine | 4, 4'-((Propane-2, 2-diylbis(4, 1-phenylene))bis(oxy))dianiline |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186152
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186152
• Canonical Smiles: CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N)C3=CC=C(C=C3)OC4=CC=C(C=C4)N
• IUPAC Name: 4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
• InChIKey: KMKWGXGSGPYISJ-UHFFFAOYSA-N
• INCHI: 1S/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3
• Isomeric SMILES: CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N)C3=CC=C(C=C3)OC4=CC=C(C=C4)N
• WGK Germany: 3
• RTECS: CY1062500
• Molecular Weight: 410.51
• Reaxy-Rn: 2181661
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2181661&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: Diphenylethers Diarylethers Phenylpropanes Phenoxy compounds Phenol ethers Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Diphenylether - Diaryl ether - Phenylpropane - Aniline or substituted anilines - Phenol ether - Phenoxy compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - 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: Very slightly soluble in water. Soluble in acetone, Dimethyl sulfoxide(DMSO).
• Flash Point(°C): 322.8ºC
• Boil Point(°C): 587.1ºC at 760mmHg
• Melt Point(°C): 127-130°C
• Molecular Weight: 410.500 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 410.199 Da
• Monoisotopic Mass: 410.199 Da
• Topological Polar Surface Area: 70.500 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 475.000
• 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

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