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

CAS: 36945-08-1 Cat. No.: B492157 Molecular Weight: 201.05 EC Number: 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

Synonyms

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

Specifications & Purity

≥99%(4 Times Purification)

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%(4 Times Purification)

Names and Identifiers

• Pubchem Sid: 504772523
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772523
• Canonical Smiles: 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
• Isomeric SMILES: CCCCN.I
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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

Chemical and Physical Properties

• Solubility: High soluble in EtOH, DMF, DMSO, water et al
• Sensitivity: Moisture sensitive；air sensitive；light sensitive
• Melt Point(°C): 173 °C (exp.)
• Molecular Weight: 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

References

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]