[4-(3,5-Dichlorophenyl)phenyl]methylamine hydrochloride - ≥97% , CAS No.518357-39-6

CAS: 518357-39-6 Cat. No.: D355989 Peso molecular: 288.6 Número EC: 811-401-2 PubChem CID: 17998852

GRADE & PURITY ≥97%

Synonyms

A912862 | 4-(3,5-DICHLOROPHENYL)BENZYLAMINE HCL | (4-(3,5-dichlorophenyl)phenyl)methylamine hcl | [4-(3,5-dichlorophenyl)phenyl]methanamine;hydrochloride | [4-(3,5-Dichlorophenyl)Phenyl]Methylamine Hydrochloride | [4-(3,5-Dichlorophenyl)phenyl]methylamine

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A912862 | 4-(3, 5-DICHLOROPHENYL)BENZYLAMINE HCL | (4-(3, 5-dichlorophenyl)phenyl)methylamine hcl | [4-(3, 5-dichlorophenyl)phenyl]methanamine;hydrochloride | [4-(3, 5-Dichlorophenyl)Phenyl]Methylamine Hydrochloride | [4-(3, 5-Dichlorophenyl)phenyl]methylamine

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488199584
• Sonrisas canónicas: C1=CC(=CC=C1CN)C2=CC(=CC(=C2)Cl)Cl.Cl
• IUPAC Name: [4-(3,5-dichlorophenyl)phenyl]methanamine;hydrochloride
• InChIKey: DXTVPISDIGCIAG-UHFFFAOYSA-N
• INCHI: 1S/C13H11Cl2N.ClH/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10;/h1-7H,8,16H2;1H
• Isómeros SMILES: C1=CC(=CC=C1CN)C2=CC(=CC(=C2)Cl)Cl.Cl
• PubChem CID: 17998852
• Peso molecular: 288.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Chlorinated biphenyls
          • Level6 Polychlorinated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Chlorinated biphenyls
• Direct Parent: Polychlorinated biphenyls
• Alternative Parents: Phenylmethylamines Dichlorobenzenes Benzylamines Aralkylamines Aryl chlorides Organochlorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Polychlorinated biphenyl - Benzylamine - 1,3-dichlorobenzene - Phenylmethylamine - Halobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Hydrochloride - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety.
• 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

Propiedades químicas y físicas

• Peso molecular: 288.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 287.004 Da
• Monoisotopic Mass: 287.004 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 204.000
• 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: 2

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