2-Amino-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile - ≥97% , CAS No.94556-80-6

CAS: 94556-80-6 Cat. No.: A469887 Molecular Weight: 320.34

GRADE & PURITY ≥97%

Synonyms

CCG-317248 | 2-Amino-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile, 97% | EN300-02594 | AB00717075-01 | AKOS000116056 | LS-08852 | 2-amino-4,5-bis(4-methoxyphenyl)-3-furonitrile | SR-01000514255 | MFCD00825568 | Z56887707 | 2-Amino-4,5-bis-(4-methoxy-pheny

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

CCG-317248 | 2-Amino-4, 5-bis(4-methoxyphenyl)furan-3-carbonitrile, 97% | EN300-02594 | AB00717075-01 | AKOS000116056 | LS-08852 | 2-amino-4, 5-bis(4-methoxyphenyl)-3-furonitrile | SR-01000514255 | MFCD00825568 | Z56887707 | 2-Amino-4, 5-bis-(4-methoxy-pheny

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: 504760685
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760685
• Canonical Smiles: COC1=CC=C(C=C1)C2=C(OC(=C2C#N)N)C3=CC=C(C=C3)OC
• IUPAC Name: 2-amino-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
• InChIKey: DEQCWXNKHKLPFP-UHFFFAOYSA-N
• INCHI: 1S/C19H16N2O3/c1-22-14-7-3-12(4-8-14)17-16(11-20)19(21)24-18(17)13-5-9-15(23-2)10-6-13/h3-10H,21H2,1-2H3
• Isomeric SMILES: COC1=CC=C(C=C1)C2=C(OC(=C2C#N)N)C3=CC=C(C=C3)OC
• WGK Germany: 3
• Molecular Weight: 320.34
• Reaxy-Rn: 6428423
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6428423&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furans
      • Subclass Diphenylfurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furans
• Subclass: Diphenylfurans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,3-diphenylfurans
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Nitriles Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,3-diphenylfuran - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Oxacycle - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,3-diphenylfurans. These are organic heterocyclic compounds that contain a furan ring substituted with a phenyl group only the C2- and C3-positions.
• 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: light sensitive
• Molecular Weight: 320.300 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 320.116 Da
• Monoisotopic Mass: 320.116 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 447.000
• 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