2-(4-Ethoxyanilino)acetohydrazide - ≥95% , CAS No.100133-39-9

CAS: 100133-39-9 Cat. No.: E1062523 Formula: C₁₀H₁₅N₃O₂ Peso molecolare: 209.25 PubChem CID: 1133302

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CCOC1=CC=C(C=C1)NCC(=O)NN
• IUPAC Name: 2-(4-ethoxyanilino)acetohydrazide
• InChIKey: SBGTZGYSJPRABB-UHFFFAOYSA-N
• INCHI: 1S/C10H15N3O2/c1-2-15-9-5-3-8(4-6-9)12-7-10(14)13-11/h3-6,12H,2,7,11H2,1H3,(H,13,14)
• Isomeri SMILES: CCOC1=CC=C(C=C1)NCC(=O)NN
• PubChem CID: 1133302
• Peso molecolare: 209.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Aminophenyl ethers Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Secondary alkylarylamines Alkyl aryl ethers Carboxylic acid hydrazides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Aminophenyl ether - Phenoxy compound - Phenylalkylamine - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Carboxylic acid hydrazide - Secondary amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

• Peso molecolare: 209.240 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 209.116 Da
• Monoisotopic Mass: 209.116 Da
• Topological Polar Surface Area: 76.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 191.000
• 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