Butylamine Hydrochloride - ≥98%(T) , CAS No.3858-78-4

CAS: 3858-78-4 Cat. No.: B152519 Molecular Weight: 109.6 EC Number: 223-369-1

GRADE & PURITY ≥98%(T)

Synonyms

AKOS016009846 | DTXSID10884015 | 1-Butanamine Hydrochloride | B0710 | FT-0635040 | BUTYLAMINE HYDROCHLORIDE | MFCD00043791 | n-butyl ammonium chloride | SB75399 | SY057374 | 1-Butanamine, hydrochloride | A873812 | butan-1-amine;hydrochloride | N-Bztylamin

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS016009846 | DTXSID10884015 | 1-Butanamine Hydrochloride | B0710 | FT-0635040 | BUTYLAMINE HYDROCHLORIDE | MFCD00043791 | n-butyl ammonium chloride | SB75399 | SY057374 | 1-Butanamine, hydrochloride | A873812 | butan-1-amine;hydrochloride | N-Bztylamin

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: CCCCN.Cl
• IUPAC Name: butan-1-amine;hydrochloride
• InChIKey: ICXXXLGATNSZAV-UHFFFAOYSA-N
• INCHI: 1S/C4H11N.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H
• Isomeric SMILES: CCCCN.Cl
• RTECS: EO5199990
• Molecular Weight: 109.6
• Reaxy-Rn: 3905688
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3905688&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary aliphatic amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine 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

• Sensitivity: Hygroscopic
• Melt Point(°C): 212-217℃
• Molecular Weight: 109.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 109.066 Da
• Monoisotopic Mass: 109.066 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. Meihan Liu, Haoran Fu, Sijie Yang, Hongyang Zhao, Zhibin Ma, Qiuming Fu, Hong Tao, Shu-Hua Yao, Yibo Han, Weidong Man, Zhenxiang Cheng.  (2023)  Controllable Magnetic Properties of Centimeter-Sized 2D (C4H9NH3)2CuCl4–xBrx Hybrid Perovskite Single-Crystalline Nanosheets for Spintronics Applications.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.3c05117]

2. Lining Bao, Yarou Yang, Xu Li, Jinxiang Dong.  (2023)  Molecular design and experimental study on the alkylation of benzene with C6 olefin dimer with Lewis acidic monoamine ionic liquids and its sulfonate surfactant properties.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.123564]

3. Xin Wang, Jinshuang Hu, Hua Wei, Zihan Li, Jian Liu, Jie Zhang, Shenghong Yang.  (2023)  Ultra-fast solvent-free protocol remodels the large-scale synthesis of carbon dots for nucleolus-targeting and white light-emitting diodes.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:37385043] [10.1016/j.jcis.2023.06.171]