Benzylamine Hydrobromide - ≥98%(HPLC)(T) , CAS No.37488-40-7

CAS: 37488-40-7 Cat. No.: B152949 Peso molecular: 188.07 Número EC: 811-786-7

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

MFCD00035434 | phenylmethanamine hydrobromide | B5185 | BENZYLAMINE HBR | EN300-7396612 | SCHEMBL1626988 | DTXSID80514635 | benzylamine hydrobromide | AKOS024324147 | Benzylamine Hydrobromide, >/=98% | Benzylammonium bromide, >=98% | QJFMCHRSDOLMHA-UHFFFA

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00035434 | phenylmethanamine hydrobromide | B5185 | BENZYLAMINE HBR | EN300-7396612 | SCHEMBL1626988 | DTXSID80514635 | benzylamine hydrobromide | AKOS024324147 | Benzylamine Hydrobromide, >/=98% | Benzylammonium bromide, >=98% | QJFMCHRSDOLMHA-UHFFFA

Especificaciones y pureza

≥98%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)(T)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)CN.Br
• IUPAC Name: phenylmethanamine;hydrobromide
• InChIKey: QJFMCHRSDOLMHA-UHFFFAOYSA-N
• INCHI: 1S/C7H9N.BrH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
• Isómeros SMILES: C1=CC=C(C=C1)CN.Br
• Peso molecular: 188.07
• Reaxy-Rn: 3911149
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3911149&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Monoalkylamines Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Organic nitrogen compound - Hydrocarbon derivative - Hydrobromide - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: air、light、moisture sensitive
• Punto de fusión (°C): 204°C(lit.)
• Peso molecular: 188.060 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187 Da
• Monoisotopic Mass: 187 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

Referencias

1. Guojun Zhou, Yan Xu, Zhiguo Xia.  (2020)  Perovskite Multiple Quantum Wells on Layered Materials toward Narrow-Band Green Emission for Backlight Display Applications.  ACS Applied Materials & Interfaces,      [PMID:32436377] [10.1021/acsami.0c07718]