2,2-Bis(4-cyanatophenyl)propane - ≥98% , CAS No.1156-51-0

CAS: 1156-51-0 Cat. No.: B138059 Formula: C₁₇H₁₄N₂O₂ Peso molecolare: 278.31 Numero EC: 214-590-4

GRADE & PURITY ≥98%

Synonyms

W-108590 | AKOS015855205 | B1251 | Bis-(2-methoxyethyl)-amine | DTXSID60893753 | 4-(5-(4-Methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)phenol | [4-[1-(4-cyanatophenyl)-1-methyl-ethyl]phenyl] cyanate | Bicalutamide (CDX) | SY050544 | cyanic acid [4-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

W-108590 | AKOS015855205 | B1251 | Bis-(2-methoxyethyl)-amine | DTXSID60893753 | 4-(5-(4-Methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)phenol | [4-[1-(4-cyanatophenyl)-1-methyl-ethyl]phenyl] cyanate | Bicalutamide (CDX) | SY050544 | cyanic acid [4-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504754584

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754584

Sorrisi canonici

CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N

IUPAC Name

[4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate

InChIKey

AHZMUXQJTGRNHT-UHFFFAOYSA-N

INCHI

1S/C17H14N2O2/c1-17(2,13-3-7-15(8-4-13)20-11-18)14-5-9-16(10-6-14)21-12-19/h3-10H,1-2H3

Isomeri SMILES

CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N

Peso molecolare

278.31

Reaxy-Rn

2056937

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2056937&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: Phenylpropanes Phenoxy compounds Cyanates Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylpropane - Phenoxy compound - Organic cyanate - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Acetone
• Punto di fusione (°C): 78.0 - 83.0 °C
• Peso molecolare: 278.300 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 278.106 Da
• Monoisotopic Mass: 278.106 Da
• Topological Polar Surface Area: 66.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 386.000
• 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