Propylamine Hydrochloride - ≥98% , CAS No.556-53-6

CAS: 556-53-6 Cat. No.: P160475 Molecular Weight: 95.57 Beilstein Registry Number: 4137 EC Number: 209-129-9 PubChem CID: 11165

GRADE & PURITY ≥98%

Synonyms

Propylamine Hydrochloride, >/=98% | DTXSID0060301 | NSC210913 | NSC-210913 | PYNUOAIJIQGACY-UHFFFAOYSA-N | 1-Propanamine hydrochloride | n-Propylammonium chloride | N-PROPYL-D7-AMINE HCL | NSC 210913 | UNII-A1Z6OVY2HG | A1Z6OVY2HG | D74104 | 1-Propylammon

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Propylamine Hydrochloride, >/=98% | DTXSID0060301 | NSC210913 | NSC-210913 | PYNUOAIJIQGACY-UHFFFAOYSA-N | 1-Propanamine hydrochloride | n-Propylammonium chloride | N-PROPYL-D7-AMINE HCL | NSC 210913 | UNII-A1Z6OVY2HG | A1Z6OVY2HG | D74104 | 1-Propylammon

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCN.Cl
• IUPAC Name: propan-1-amine;hydrochloride
• InChIKey: PYNUOAIJIQGACY-UHFFFAOYSA-N
• INCHI: 1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H
• Isomeric SMILES: CCCN.Cl
• WGK Germany: 3
• RTECS: UI3057000
• PubChem CID: 11165
• Molecular Weight: 95.57
• Beilstein: 4137
• Reaxy-Rn: 3541406

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 Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - 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: Moisture sensitive.
• Melt Point(°C): 160-162 °C
• Molecular Weight: 95.570 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 95.0502 Da
• Monoisotopic Mass: 95.0502 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 7.200
• 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. 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]

2. Jie Wu, Fangping Lin, Shuai Zhang, Haiyan Wang, Jiandong Yao, Xiaodong Shen, Nengneng Luo, Dan Huang, Ruosheng Zeng.  (2024)  One-Dimensional Organic–Inorganic Hybrid Double Perovskites with Near-Unity Photoluminescence Quantum Yield and Advanced Multifunctional Applications.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.4c00276]

3. Siguang Li, Minghua Li, Yiyang Wang, Xin Jiang, Zhe Liu, Yufei Gong, Meng Yuan, Tianwei Zou, Ruihan Wu, Siyu Zhuang, Senyao Wang, Shucheng Qin, Lei Meng, Yongfang Li.  (2025)  Crystallization Control via Sulfonic Zwitterions for Inverted CsPbI3 Perovskite Solar Cells with Efficiency over 22%.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.5c02131]

4. 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]