4,4'-(Pyridin-2-ylmethylene)diphenol - ≥98% , CAS No.603-41-8

CAS: 603-41-8 Cat. No.: D349976 Formula: C₁₈H₁₅NO₂ Peso molecolare: 277.32 Numero EC: 210-039-7

GRADE & PURITY ≥98%

Synonyms

Dihydroxydiphenyl-pyridyl methane | Desacetyl Bisacodyl | 4,4'-Dihydroxydiphenyl(2-pyridyl)methane | DDPM | DTXCID40131544 | Q27287600 | C90507 | SCHEMBL3615825 | EC 210-039-7 | SODIUM PICOSULFATE IMPURITY B (EP IMPURITY) | SODIUM PICOSULFATE IMPURITY B [

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

Dihydroxydiphenyl-pyridyl methane | Desacetyl Bisacodyl | 4,4'-Dihydroxydiphenyl(2-pyridyl)methane | DDPM | DTXCID40131544 | Q27287600 | C90507 | SCHEMBL3615825 | EC 210-039-7 | SODIUM PICOSULFATE IMPURITY B (EP IMPURITY) | SODIUM PICOSULFATE IMPURITY B [

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
• IUPAC Name: 4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
• InChIKey: LJROKJGQSPMTKB-UHFFFAOYSA-N
• INCHI: 1S/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H
• Isomeri SMILES: C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
• Peso molecolare: 277.32
• Reaxy-Rn: 212040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=212040&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Methanol
• Punto di fusione (°C): >200° C (dec.)
• Peso molecolare: 277.300 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 277.11 Da
• Monoisotopic Mass: 277.11 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 284.000
• 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