Benzyldimethylphenylammonium Chloride - ≥98% , CAS No.3204-68-0

CAS: 3204-68-0 Cat. No.: B152180 Molecular Weight: 247.77 EC Number: 221-707-2

GRADE & PURITY ≥98%

Synonyms

Benzenemethanaminium, N,N-dimethyl-N-phenyl-, chloride (1:1) | 2,4-Dichlorobenzoylchloride | N-benzyl-N,N-dimethylbenzenaminiumchloride | FT-0622864 | SCHEMBL1559083 | B0416 | Dimethylphenylbenzylammonium chloride | N-Benzyl-N,N-dimethylanilinium chloride

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Benzenemethanaminium, N, N-dimethyl-N-phenyl-, chloride (1:1) | 2, 4-Dichlorobenzoylchloride | N-benzyl-N, N-dimethylbenzenaminiumchloride | FT-0622864 | SCHEMBL1559083 | B0416 | Dimethylphenylbenzylammonium chloride | N-Benzyl-N, N-dimethylanilinium chloride

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755092
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755092
• Canonical Smiles: C[N+](C)(CC1=CC=CC=C1)C2=CC=CC=C2.[Cl-]
• IUPAC Name: benzyl-dimethyl-phenylazanium;chloride
• InChIKey: QLRKASHXFNIPLZ-UHFFFAOYSA-M
• INCHI: 1S/C15H18N.ClH/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h3-12H,13H2,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+](C)(CC1=CC=CC=C1)C2=CC=CC=C2.[Cl-]
• Molecular Weight: 247.77
• Reaxy-Rn: 3919475
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3919475&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzamines
• Alternative Parents: Benzylamines Aniline and substituted anilines Aralkylamines Quaternary ammonium salts Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylbenzamine - Aniline or substituted anilines - Benzylamine - Aralkylamine - Quaternary ammonium salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
• 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
• Molecular Weight: 247.760 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 247.113 Da
• Monoisotopic Mass: 247.113 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 197.000
• 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. Shuang Hao, Lingshuang Liu, Jun Xiao, Jianxiao Wang, Yongkai Xu, Yunxia Hu.  (2024)  Impact of cationic surfactants molecular structure on physicochemical structure and properties of polyamide reverse osmosis membrane via tailoring interfacial polymerization.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.122994]

2. Yicheng Jiang, Shaobin Wen, Jingyu Zhang, Bin Peng, Haisheng Zhang, Qiang Zhang.  (2025)  Direct interfacial polymerization of cationic monosaccharides for nanofiltration membranes.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124525]

3. Li Chao, Meng Qichao, Bai Yunfei, Zhao Hongyuan, Wen Ziying, Huang Li, Huang Dan, Wang Liang, Yu William W., Chen Haibin, Liu Feng.  (2026)  Unlocking ultra-stable blue emission from Ytterbium- and erbium-doped metal halides.  Communications Materials,      [PMID:] [10.1038/s43246-026-01119-8]