5-[(Diethylamino)methyl]furan-2-carbohydrazide - ≥95% , CAS No.91141-17-2

CAS: 91141-17-2 Cat. No.: D1291394 Molecular Weight: 211.26 EC Number: 157-137-5

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCN(CC)CC1=CC=C(O1)C(=O)NN
• IUPAC Name: 5-(diethylaminomethyl)furan-2-carbohydrazide
• InChIKey: NQHJOYUACLKLTG-UHFFFAOYSA-N
• INCHI: 1S/C10H17N3O2/c1-3-13(4-2)7-8-5-6-9(15-8)10(14)12-11/h5-6H,3-4,7,11H2,1-2H3,(H,12,14)
• Molecular Weight: 211.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Sugar amino acids and derivatives
            • Level7 Furanoid amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives - Sugar amino acids and derivatives
• Direct Parent: Furanoid amino acids and derivatives
• Alternative Parents: Furoic acid and derivatives Aralkylamines Heteroaromatic compounds Trialkylamines Carboxylic acid hydrazides Amino acids and derivatives Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furanoid amino acid - Furoic acid or derivatives - Aralkylamine - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid hydrazide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as furanoid amino acids and derivatives. These are sugar amino acids containing a furan ring.
• 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: 211.260 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 211.132 Da
• Monoisotopic Mass: 211.132 Da
• Topological Polar Surface Area: 71.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 207.000
• 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