(4-Bromophenyl)(phenyl)methanamine - ≥97% , CAS No.55095-17-5

CAS: 55095-17-5 Cat. No.: B589459 Fórmula: C₁₃H₁₂BrN Peso molecular: 262.14

GRADE & PURITY ≥97%

Synonyms

Benzenemethanamine, 4-bromo-.alpha.-phenyl- | AMY20438 | MFCD06616841 | 1-(4-bromophenyl)-1-phenylmethanamine | [(4-BROMOPHENYL)(PHENYL)METHYL]AMINE | SCHEMBL2996334 | alpha-(4-Bromophenyl)benzylamine | STK686933 | SY019319 | (4-bromophenyl)(phenyl) metha

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Benzenemethanamine, 4-bromo-.alpha.-phenyl- | AMY20438 | MFCD06616841 | 1-(4-bromophenyl)-1-phenylmethanamine | [(4-BROMOPHENYL)(PHENYL)METHYL]AMINE | SCHEMBL2996334 | alpha-(4-Bromophenyl)benzylamine | STK686933 | SY019319 | (4-bromophenyl)(phenyl) metha

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 508806569
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508806569
• Sorrisos canónicos: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N
• IUPAC Name: (4-bromophenyl)-phenylmethanamine
• InChIKey: CUGXLVXNFZFUFF-UHFFFAOYSA-N
• INCHI: 1S/C13H12BrN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2
• SMILES isoméricas: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N
• Número NSC: NSC Number': ['505710
• Peso molecular: 262.14
• Reaxy-Rn: 2212099
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212099&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Bromobenzenes Aralkylamines Aryl bromides Organopnictogen compounds Organobromides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Bromobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl bromide - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Propriedades químicas e físicas

• Peso molecular: 262.140 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 261.015 Da
• Monoisotopic Mass: 261.015 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 181.000
• 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