Bromure de benzylamine - ≥98%(HPLC)(T) , CAS No.37488-40-7

CAS: 37488-40-7 Cat. No.: B152949 Formule: C₇H₉N·HBr Poids moléculaire: 188.07 Numéro CE: 811-786-7

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

MFCD00035434 | bromure de phénylméthanamine | B5185 | BENZYLAMINE HBR | EN300-7396612 | SCHEMBL1626988 | DTXSID80514635 | bromure de benzylamine | AKOS024324147 | bromure de benzylamine, >/=98% | bromure de benzylammonium, >=98% | QJFMCHRSDOLMHA-UHFFFA

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

MFCD00035434 | bromure de phénylméthanamine | B5185 | BENZYLAMINE HBR | EN300-7396612 | SCHEMBL1626988 | DTXSID80514635 | bromure de benzylamine | AKOS024324147 | bromure de benzylamine, >/=98% | bromure de benzylammonium, >=98% | QJFMCHRSDOLMHA-UHFFFA

Spécifications et pureté

≥98%(HPLC)(T)

Conditions de stockage de stockage

Protected from light,Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%(HPLC)(T)

Noms et identifiants

Pubchem Sid

508816352

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • 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 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water
• Sensibilité: air、light、moisture sensitive
• Point de fusion (°C): 204°C(lit.)
• Poids moléculaire: 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