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

CAS: 37488-40-7 Cat. No.: B152949 分子式: C₇H₉N·HBr 分子量: 188.07 EC番号: 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,Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

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

仕様と純度

≥98%(HPLC)(T)

保管条件

Protected from light,Room temperature,Argon charged

入荷

Normal

純度

≥98%(HPLC)(T)

名前と識別子

パブケム・シド

508816352

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508816352

カノニカル・スマイル

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

異性体SMILES

C1=CC=C(C=C1)CN.Br

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in water
• 感度: air、light、moisture sensitive
• 融点（°C）: 204°C(lit.)
• 分子量: 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