5-[(2-Naphthyloxy)methyl]-2-furohydrazide - ≥97% , CAS No.438472-54-9

CAS: 438472-54-9 Cat. No.: N1345108 PubChem CID: 726927

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)OCC3=CC=C(O3)C(=O)NN
• IUPAC Name: 5-(naphthalen-2-yloxymethyl)furan-2-carbohydrazide
• InChIKey: KAGLMPJIJKYNOE-UHFFFAOYSA-N
• INCHI: 1S/C16H14N2O3/c17-18-16(19)15-8-7-14(21-15)10-20-13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10,17H2,(H,18,19)
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)OCC3=CC=C(O3)C(=O)NN
• Alternate CAS: 438472-54-9
• PubChem CID: 726927

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Furoic acid and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Furoic acid or derivatives - Alkyl aryl ether - Furan - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Molecular Weight: 282.290 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 282.1 Da
• Monoisotopic Mass: 282.1 Da
• Topological Polar Surface Area: 77.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 363.000
• 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