Phenmethylammonium Iodide - ≥99.5%(4 Times Purification) , CAS No.45579-91-7

CAS: 45579-91-7 Cat. No.: P493100 Formula: C₇H₉N·HI Peso molecolare: 235.07 Numero EC: 807-958-6

GRADE & PURITY ≥99.5%(4 Times Purification)

Synonyms

Benzylamine Hydroiodide (Low water content) | SCHEMBL9324482 | T70936 | Benzylaminhydrojodid | LS-13288 | phenylmethanamine;hydroiodide | VBA57991 | MFCD28384135 | B4566 | benzylammonium iodide | Benzylamine Hydroiodide

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

Benzylamine Hydroiodide (Low water content) | SCHEMBL9324482 | T70936 | Benzylaminhydrojodid | LS-13288 | phenylmethanamine;hydroiodide | VBA57991 | MFCD28384135 | B4566 | benzylammonium iodide | Benzylamine Hydroiodide

Specifiche e purezza

≥99.5%(4 Times Purification)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥99.5%(4 Times Purification)

Nomi e identificatori

• Pubchem Sid: 488202103
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202103
• Sorrisi canonici: C1=CC=C(C=C1)CN.I
• IUPAC Name: phenylmethanamine;hydroiodide
• InChIKey: PPCHYMCMRUGLHR-UHFFFAOYSA-N
• INCHI: 1S/C7H9N.HI/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
• Isomeri SMILES: C1=CC=C(C=C1)CN.I
• Peso molecolare: 235.07
• Reaxy-Rn: 3682485
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3682485&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Quaternary ammonium salts Organic iodide salts Monoalkylamines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Quaternary ammonium salt - Organic nitrogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Organic cation - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Proprietà chimiche e fisiche

• Solubilità: High soluble in EtOH, DMF, DMSO, water et al
• Sensibilità: Moisture sensitive;air sensitive;light sensitive
• Punto di fusione (°C): 178 °C
• Peso molecolare: 235.070 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 234.986 Da
• Monoisotopic Mass: 234.986 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 55.400
• 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

XLogP3

Riferimenti

1. P. H. Shi, W. J. Zhai, Y. J. Ma, W. H. Zheng, J. S. Li, L. Huang, Y. R. Ren, X. Peng, L. Lin, Z. B. Yan, J.-M. Liu.  (2025)  Enhancing the Performance of a Tin Halide Perovskite Photodetector through Trifluoromethyl Cation Passivation.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.5c03778]