Amp-404 - ≥90% , CAS No.55275-64-4

CAS: 55275-64-4 Cat. No.: A1046197 Summenformel: C₁₀H₉N₃O Molekulargewicht: 187.2 PubChem CID: 4301949

GRADE & PURITY ≥90%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥90%

Storage

Room temperature

Reinheit

≥90%

Namen und Kennungen

Kanonisches Lächeln

C1C(N1C(=O)NC2=CC=CC=C2)C#N

IUPAC Name

2-cyano-N-phenylaziridine-1-carboxamide

InChIKey

BXBIBOQGYLPODI-UHFFFAOYSA-N

INCHI

1S/C10H9N3O/c11-6-9-7-13(9)10(14)12-8-4-2-1-3-5-8/h1-5,9H,7H2,(H,12,14)

Isomere SMILES

C1C(N1C(=O)NC2=CC=CC=C2)C#N

PubChem CID

4301949

Molekulargewicht

187.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Ureas Nitriles Aziridines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylurea - Urea - Aziridine - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 187.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 187.075 Da
• Monoisotopic Mass: 187.075 Da
• Topological Polar Surface Area: 55.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 274.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1