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Stearyltrimethylammonium Chloride

CAS: 112-03-8 | C21H46ClN

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
112-03-8
Molecular Formula
C21H46ClN
Molecular Mass
348.06 g/mol

Identifiers

CAS Registry Number

112-03-8

SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]

InChI Key

VBIIFPGSPJYLRR-UHFFFAOYSA-M

InChI

InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1

Names and Synonyms

  • Stearyltrimethylammonium Chloride Common Name
  • Monostearyltrimethylammonium chloride Synonym
  • Arquad 18-55 Synonym
  • CA 2450 Synonym
  • CA 2465 Synonym
  • Cation AB 600 Synonym
  • Nissan Cation AB 600 Synonym
  • Arquad 18-63 Synonym
  • Electrostripper QE Synonym
  • 1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1) Synonym
  • Trimethyloctadecylammonium chloride Synonym
  • Ammonium, trimethyloctadecyl-, chloride Synonym
  • 1-Octadecanaminium, N,N,N-trimethyl-, chloride Synonym
  • Aliquat 7 Synonym
  • Arquad 18 Synonym
  • Octadecyltrimethylammonium chloride Synonym
  • Trimethylstearylammonium chloride Synonym
  • Stearyltrimethylammonium chloride Synonym
  • STAC Synonym
  • Nissan Cation AB Synonym
  • Quaternium 10 Synonym
  • Cation AB Synonym
  • Arquad 18-50 Synonym
  • Kamin RMS Synonym
  • Lebon TM 18 Synonym
  • Quartamin 86P Synonym
  • Boraquat P 30 Synonym
  • Quartamin 869P Synonym
  • Varisoft TSC Synonym
  • Dehyquart B Synonym
  • Catinal STS 80 Synonym
  • Quartamin 86W Synonym
  • Quartamin 86P Conc Synonym
  • Quartamin 86 Synonym
  • Catinal STC 25W Synonym
  • Stearyltrimonium chloride Synonym
  • Catinal STC 80 Synonym
  • Q-S-T 50 Synonym
  • Catiogen TMS Synonym
  • Genamin STACP Synonym
  • Genamin STAC Synonym
  • Catinal STC 25AQ Synonym
  • Stearimonium chloride Synonym
  • Quartamin 80W Synonym
  • Steartrimonium chloride Synonym
  • FAC 1W Synonym
  • Miconium STAC 65 Synonym
  • Quartamin P 85 Synonym
  • AB 250 Synonym
  • AB 250 (surfactant) Synonym
  • Catinal STC 70ET Synonym
  • Nikkol CA 2465 Synonym
  • Nikkol CA 2450 Synonym
  • Econol TMS 28 Synonym
  • Cationic emulsifier 1831 Synonym
  • Quaternium 1831 Synonym
  • Arcade T 800 Synonym
  • Lipo Gard 18-63 Synonym
  • Lipoquad T 800 Synonym
  • Nikkol NET-SG 60C Synonym
  • Kotamin 86P Synonym
  • Lipoquad T 833 Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 348.06 g/mol CAS Common Chemistry
348.05899999999997 g/mol RDKit
348.059 g/mol RDKit
348.056 g/mol chempirical lib
Canonical SMILES [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C CAS Common Chemistry
InChI InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1 CAS Common Chemistry
InChI Key InChIKey=VBIIFPGSPJYLRR-UHFFFAOYSA-M CAS Common Chemistry
Name Stearyltrimethylammonium chloride CAS Common Chemistry
Heavy Atom Count 23 RDKit
Hydrogen Bond Acceptors 0 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 17 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 0.0 Ų RDKit
LogP 3.9581000000000026 RDKit
3.9581 RDKit
Molar Refractivity 102.44540000000009 cm³/mol RDKit
Ring Count 0 RDKit
Formal Charge 0 RDKit
Fraction Csp3 1.0 RDKit
Exact Mass 347.331878152 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

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