(R)-1-(4-Iodophenyl)ethanamine hydrochloride - ≥98% , CAS No.1246649-06-8

CAS: 1246649-06-8 Cat. No.: R489522 Molecular Weight: 283.54 EC Number: 183-325-1

GRADE & PURITY ≥98%

Synonyms

(R)-1-(4-Iodophenyl)ethanamine hydrochloride|1246649-06-8|(R)-1-(4-iodophenyl)ethanamine-HCl|(R)-1-(4-Iodophenyl)ethanamine HCl|(1R)-1-(4-iodophenyl)ethanamine;hydrochloride|C8H11ClIN|Benzenemethanamine, 4-iodo-alpha-methyl-, hydrochloride (1:1), (alphaR)

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

(R)-1-(4-Iodophenyl)ethanamine hydrochloride | 1246649-06-8 | (R)-1-(4-iodophenyl)ethanamine-HCl | (R)-1-(4-Iodophenyl)ethanamine HCl | (1R)-1-(4-iodophenyl)ethanamine;hydrochloride | C8H11ClIN | Benzenemethanamine, 4-iodo-alpha-methyl-, hydrochloride (1:1), (alphaR)

Specifications & Purity

≥98%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770481
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770481
• Canonical Smiles: CC(C1=CC=C(C=C1)I)N.Cl
• IUPAC Name: (1R)-1-(4-iodophenyl)ethanamine;hydrochloride
• InChIKey: PZYFIOFVFANOJA-FYZOBXCZSA-N
• INCHI: 1S/C8H10IN.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-6H,10H2,1H3;1H/t6-;/m1./s1
• Isomeric SMILES: C[C@H](C1=CC=C(C=C1)I)N.Cl
• Molecular Weight: 283.54
• Reaxy-Rn: 5612824
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5612824&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Vinyl iodides Iodoalkenes Organopnictogen compounds Organoiodides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Iodobenzene - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organoiodide - Organohalogen compound - Primary aliphatic amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
• 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

• Sensitivity: Light sensitive；Moisture sensitive
• Molecular Weight: 283.540 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 282.962 Da
• Monoisotopic Mass: 282.962 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 97.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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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