N-Hydroxy-2,4,6-trimethylaniline - ≥98% , CAS No.14353-69-6

CAS: 14353-69-6 Cat. No.: N1012602 Formula: C₉H₁₃NO Peso molecolare: 151.21 PubChem CID: 13542174

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CC1=CC(=C(C(=C1)C)NO)C
• IUPAC Name: N-(2,4,6-trimethylphenyl)hydroxylamine
• InChIKey: ZFYAPTBVXHEXOE-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO/c1-6-4-7(2)9(10-11)8(3)5-6/h4-5,10-11H,1-3H3
• Isomeri SMILES: CC1=CC(=C(C(=C1)C)NO)C
• PubChem CID: 13542174
• Peso molecolare: 151.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe N-phenylhydroxylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: N-phenylhydroxylamines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylhydroxylamines
• Alternative Parents: Arylhydroxamates Benzene and substituted derivatives N-organohydroxylamines Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylhydroxylamine - Arylhydroxamate - Monocyclic benzene moiety - N-organohydroxylamine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-phenylhydroxylamines. These are hydroxylamines that are N-substituted with a phenyl 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

Proprietà chimiche e fisiche

• Peso molecolare: 151.210 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.1 Da
• Monoisotopic Mass: 151.1 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 115.000
• 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