Butylammonium Iodide（BAI） - ≥99%(4 Times Purification) , CAS No.36945-08-1

CAS: 36945-08-1 Cat. No.: B492157 Formule: C₄H₁₁N·HI Poids moléculaire: 201.05 Numéro CE: 807-963-3

GRADE & PURITY ≥99%(4 Times Purification)

Synonyms

n-butylammonium iodide | butan-1-amine;hydroiodide | AS-57718 | Butylamine Hydroiodide | 1-Butanamine Hydroiodide | butan-1-amine hydroiodide | AKOS037645152 | MFCD28100822 | B4433 | T70838 | SY117090

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

n-butylammonium iodide | butan-1-amine;hydroiodide | AS-57718 | Butylamine Hydroiodide | 1-Butanamine Hydroiodide | butan-1-amine hydroiodide | AKOS037645152 | MFCD28100822 | B4433 | T70838 | SY117090

Spécifications et pureté

≥99%(4 Times Purification)

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥99%(4 Times Purification)

Noms et identifiants

• Pubchem Sid: 504772523
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772523
• Sourires canoniques: CCCCN.I
• IUPAC Name: butan-1-amine;hydroiodide
• InChIKey: CALQKRVFTWDYDG-UHFFFAOYSA-N
• INCHI: 1S/C4H11N.HI/c1-2-3-4-5;/h2-5H2,1H3;1H
• Isomères SMILES: CCCCN.I
• Poids moléculaire: 201.05
• Reaxy-Rn: 3905443
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3905443&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Quaternary ammonium salts
• Alternative Parents: Organic iodide salts Monoalkylamines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Quaternary ammonium salt - Hydrocarbon derivative - Organic iodide salt - Organic salt - Primary amine - Primary aliphatic amine - Amine - Organic cation - Aliphatic acyclic compound
• Description: 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

Propriétés chimiques et physiques

• Solubilité: High soluble in EtOH, DMF, DMSO, water et al
• Sensibilité: Moisture sensitive；air sensitive；light sensitive
• Point de fusion (°C): 173 °C (exp.)
• Poids moléculaire: 201.050 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 201.001 Da
• Monoisotopic Mass: 201.001 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 13.100
• 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

Références

1. Zhangxin Chen, Ning Xu, Weijun Li, Ruiyang Zhao, Yujie Dong, Junlei Liu, Chang Su, Jianli Wang, Cheng Zhang.  (2019)  Effect of trace hydrofluoric acid in a LiPF6 electrolyte on the performance of a Li–organic battery with an N-heterocycle based conjugated microporous polymer as the cathode.  Journal of Materials Chemistry A,  7  (27): (16347-16355).  [PMID:] [10.1039/C9TA01810G]

Foire aux questions

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 36945-08-1, the molecular formula is C4H11N·HI, and the molecular weight is 201.05 g/mol. InChIKey CALQKRVFTWDYDG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.