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

CAS: 37488-40-7 Cat. No.: B152949 Molecular Weight: 188.07 EC Number: 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

Synonyms

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

Specifications & Purity

≥98%(HPLC)(T)

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)(T)

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)CN.Br
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

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

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: air、light、moisture sensitive
• Melt Point(°C): 204°C(lit.)
• Molecular Weight: 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

References

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]