Chlorpheniramine N-oxide - ≥95% , CAS No.120244-82-8

CAS: 120244-82-8 Cat. No.: C1270189 Summenformel: C16H21Cl3N2O Molekulargewicht: 363.71 PubChem CID: 46781011

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C[N+](C)(CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2)[O-]

IUPAC Name

3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine oxide

InChIKey

NMEICKDXQPVPKK-UHFFFAOYSA-N

INCHI

1S/C16H19ClN2O/c1-19(2,20)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3

Isomere SMILES

C[N+](C)(CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2)[O-]

PubChem CID

46781011

Molekulargewicht

363.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pheniramines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pheniramines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pheniramines
• Alternative Parents: Chlorobenzenes Aryl chlorides Trialkyl amine oxides Heteroaromatic compounds Trisubstituted amine oxides and derivatives Azacyclic compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pheniramine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Trialkyl amine oxide - Heteroaromatic compound - Trisubstituted n-oxide - N-oxide - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pheniramines. These are compounds containing a pheniramine moiety, which is structurally characterized by the presence of a 2-benzylpyridine linked to an dimethyl(propyl)amine to form a dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine skeleton.
• 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: 290.790 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 290.119 Da
• Monoisotopic Mass: 290.119 Da
• Topological Polar Surface Area: 31.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 290.000
• 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