Phenylbutanammonium Chloride - ≥99%(4 Times Purification) , CAS No.30684-06-1

CAS: 30684-06-1 Cat. No.: P493282 Molecular Weight: 185.70 EC Number: 806-941-0

GRADE & PURITY ≥99%(4 Times Purification)

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

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

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 |

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: 504770426
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770426
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)CCCCN.Cl
• Molecular Weight: 185.70

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in DMF, DMSO et al
• Sensitivity: Moisture sensitive；air sensitive；light sensitive
• Melt Point(°C): 163-167°C
• Molecular Weight: 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

References

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]