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Dodecyltrimethylammonium Chloride

CAS: 112-00-5 | C15H34ClN

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 112-00-5
Molecular Formula: C15H34ClN
Molecular Weight: 263.89699999999993 g/mol

Names and Synonyms:

Dodecyltrimethylammonium Chloride
Monolauryltrimethylammonium chloride
Quartamin 24P
Quartamin 24
Pionin B 111
Lauryltrimonium chloride
I 0453
Catiogen TML
CA 2150
Arquad 12-25
Radiaquat 6465
Arquad 12-37W
Arquad 12-23
Nissan Cation BB 300
Catinal LTC 35A
Adogen 412
Swanol CA 2150
Rhodaquat M 242C29
Arquad 12-33
Laurtrimonium chloride
Quartamin 24W
N,N,N-Trimethyl-1-dodecanaminium chloride
N-Dodecyl-N,N,N-trimethylammonium chloride
Arquad 12-50
DTAC
Catiogen L
Nissan Cation FB
Redicote E 5
Dehyquart LT
Rewoquat B 18
Cation BB
Cation FB
Alicop
Nissan Cation BB
Arquad 12
n-Dodecyltrimethylammonium chloride
Trimethyldodecylammonium chloride
Trimethyllaurylammonium chloride
Lauryltrimethylammonium chloride
Arquad 12D
Aliquat 4
1-Dodecanaminium, N,N,N-trimethyl-, chloride
Dodecyltrimethylammonium chloride
Ammonium, dodecyltrimethyl-, chloride
1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)
E 010077
Fentacare 1231-37
Lipoquad 12-37W
Cationic Surfactant 1231
Cationic 1231
C12TAC
Emal 60W
Germicide 1231
N-Lauryltrimethylammonium chloride
N-Lauryl-N,N,N-trimethylammonium chloride

Identifiers:

SMILES:
CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChI:
InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;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

Molecular

Property Value Source
Molecular Weight 263.89699999999993 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 263.237977768 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 17 count RDKit

Hydrogen

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

Rotatable

Property Value Source
Rotatable Bonds 11 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 0.0 Ų RDKit

Physical Properties

Property Value Source
LogP 1.6175000000000002 RDKit
molecular_mass 263.90 g/mol Legacy Database
cas-canonical-smile [Cl-].CCCCCCCCCCCC[N+](C)(C)C None Legacy Database
cas-inchi InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1 None Legacy Database
cas-inchi-key InChIKey=DDXLVDQZPFLQMZ-UHFFFAOYSA-M None Legacy Database
cas-melting-point 37 °C None Legacy Database
cas-name Dodecyltrimethylammonium chloride None Legacy Database

Molar

Property Value Source
Molar Refractivity 74.74340000000008 RDKit

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