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Stearyltrimethylammonium Chloride

CAS: 112-03-8 | C21H46ClN

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 112-03-8
Molecular Formula: C21H46ClN
Molecular Weight: 348.05899999999997 g/mol

Names and Synonyms:

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

Identifiers:

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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

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

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 348.06 g/mol Legacy Database
cas-canonical-smile [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=VBIIFPGSPJYLRR-UHFFFAOYSA-M None Legacy Database
cas-name Stearyltrimethylammonium chloride None Legacy Database
LogP 3.9581000000000026 RDKit

Molecular

Property Value Source
Molecular Weight 348.05899999999997 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 347.331878152 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 23 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 0 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 17 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 0.0 Ų RDKit

Molar

Property Value Source
Molar Refractivity 102.44540000000009 RDKit

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