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

CAS: 55095-17-5 Cat. No.: B589459 Formula: C₁₃H₁₂BrN Molecular Weight: 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

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

Specifications & Purity

≥97%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid

508806569

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508806569

Canonical Smiles

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

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N

NSC Number

NSC Number': ['505710

Molecular Weight

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
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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