4-Phenylbutylamine Hydrochloride - ≥98%(HPLC) , CAS No.30684-06-1

CAS: 30684-06-1 Cat. No.: P160137 Peso molecular: 185.70 Número EC: 806-941-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

AB13248 | SCHEMBL8734597 | 4-PHENYLBUTYLAMINEHYDROCHLORIDE | 1-Amino-4-phenylbutane Hydrochloride | EN300-7401953 | 4-PHENYLBUTAN-1-AMINE HYDROCHLORIDE | 4-Phenylbutylamine Hydrochloride | Z2574929438 | MFCD03093616 | 4-phenylbutan-1-amine;hydrochloride |

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

AB13248 | SCHEMBL8734597 | 4-PHENYLBUTYLAMINEHYDROCHLORIDE | 1-Amino-4-phenylbutane Hydrochloride | EN300-7401953 | 4-PHENYLBUTAN-1-AMINE HYDROCHLORIDE | 4-Phenylbutylamine Hydrochloride | Z2574929438 | MFCD03093616 | 4-phenylbutan-1-amine;hydrochloride |

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488201053
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201053
• Sonrisas canónicas: C1=CC=C(C=C1)CCCCN.Cl
• IUPAC Name: 4-phenylbutan-1-amine;hydrochloride
• InChIKey: DGDORWAJHREUEO-UHFFFAOYSA-N
• INCHI: 1S/C10H15N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9,11H2;1H
• Isómeros SMILES: C1=CC=C(C=C1)CCCCN.Cl
• Peso molecular: 185.70

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylbutylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylbutylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbutylamines
• Alternative Parents: Aralkylamines Quaternary ammonium salts Organic chloride salts Monoalkylamines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylbutylamine - Aralkylamine - Quaternary ammonium salt - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
• 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

• Solubilidad: Solubility in Water：very faint turbidity
• Punto de fusión (°C): 163-167°C
• Peso molecular: 185.690 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 185.097 Da
• Monoisotopic Mass: 185.097 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 84.900
• 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. Yiwen Xiao, Hao Ruan, Chaoqiong Zhu, Jiaqi Li, Yue Zou, Benhe Zhong, Fang Wan, Xiao-Dong Guo.  (2025)  Synergistic Zn2+ Desolvation and Diffusion Acceleration for High-Performance Aqueous Zinc Batteries at Low Temperature.  Nanoscale,      [PMID:41263583] [10.1039/D5NR03836G]