3-Butenylamine hydrochloride - ≥95% , CAS No.17875-18-2

CAS: 17875-18-2 Cat. No.: B167997 Peso molecular: 107.58 Número EC: 627-654-5

GRADE & PURITY ≥95%

Synonyms

But-3-en-1-aminehydrochloride | But-3-en-1-amine hydrochloride | EN300-191610 | but-3-en-1-ylamine hydrochloride | PD183125 | but-3-en-1-amine;hydrochloride | FT-0693105 | J-011399 | A905360 | STK887613 | BUT-3-EN-1-AMINE HCL | 3-Butenylamine hydrochlorid

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

3-Butenylamine hydrochloride can be used to synthesize 2-(3-butenylamino)-3-chloronaphthalene-1,4-dione via reaction with 2,3-dichloro-1,4-naphthoquinone in the presence of sodium bicarbonate.

Specifications

Sinónimos

But-3-en-1-aminehydrochloride | But-3-en-1-amine hydrochloride | EN300-191610 | but-3-en-1-ylamine hydrochloride | PD183125 | but-3-en-1-amine;hydrochloride | FT-0693105 | J-011399 | A905360 | STK887613 | BUT-3-EN-1-AMINE HCL | 3-Butenylamine hydrochlorid

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488198062
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198062
• Sonrisas canónicas: C=CCCN.Cl
• IUPAC Name: but-3-en-1-amine;hydrochloride
• InChIKey: MKEXLMVYRUNCQJ-UHFFFAOYSA-N
• INCHI: 1S/C4H9N.ClH/c1-2-3-4-5;/h2H,1,3-5H2;1H
• Isómeros SMILES: C=CCCN.Cl
• WGK Alemania: 3
• Peso molecular: 107.58
• Reaxy-Rn: 3960580
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3960580&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Quaternary ammonium salts
• Alternative Parents: Organic chloride salts Monoalkylamines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Quaternary ammonium salt - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Primary aliphatic amine - Amine - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quaternary ammonium salts. These are compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl group.
• 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

• Sensibilidad: Air sensitive,Moisture sensitive
• Punto de fusión (°C): 174-180 °C
• Peso molecular: 107.580 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 107.05 Da
• Monoisotopic Mass: 107.05 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 24.800
• 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. Hui Yang, Zhengbo Cui, Wen Li, Xuemin Guo, Chunyan Lu, Haobo Yuan, Yuyang Hu, Wenxiao Zhang, Xiaodong Li, Junfeng Fang.  (2024)  Functionalized 2D/3D Heterojunction with Reversible Iodine-Alkenes Reaction in Perovskite Solar Cells.  ADVANCED FUNCTIONAL MATERIALS,  34  (46): (2407828).  [PMID:] [10.1002/adfm.202407828]