Back to Search
Molecule
Cetrimonium Chloride
CAS: 112-02-7 · C19H42ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 112-02-7
- Molecular Formula
- C19H42ClN
- Molecular Mass
- 320.01 g/mol
Identifiers
CAS Registry Number
112-02-7
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChI Key
WOWHHFRSBJGXCM-UHFFFAOYSA-M
InChI
InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
Names and Synonyms
- Cetrimonium Chloride Common Name
- 1-Hexadecanaminium, N,N,N-trimethyl-, chloride (1:1) Synonym
- Ammonium, hexadecyltrimethyl-, chloride Synonym
- Hexadecyltrimethylammonium chloride Synonym
- 1-Hexadecanaminium, N,N,N-trimethyl-, chloride Synonym
- Aliquat 6 Synonym
- Cetyltrimethylammonium chloride Synonym
- Intexan CTC 29 Synonym
- Morpan CHA Synonym
- Trimethylhexadecylammonium chloride Synonym
- Trimethylcetylammonium chloride Synonym
- Arquad 16-50 Synonym
- Dehyquart A Synonym
- HTAC Synonym
- Cetrimonium chloride Synonym
- Cation PB 40 Synonym
- Genamin CTAC Synonym
- Barquat CT 29 Synonym
- Intexsan CTC 29 Synonym
- Intexsan CTC 50 Synonym
- PB 40 Synonym
- Nissan Cation PB 40 Synonym
- n-Hexadecyltrimethylammonium chloride Synonym
- Palmityltrimethylammonium chloride Synonym
- Arquad 16-29 Synonym
- Variquat E 228 Synonym
- Adogen 444 Synonym
- Dodigen 1383 Synonym
- CTMA Synonym
- Lebon TM 16 Synonym
- CTAC Synonym
- CETAC Synonym
- Surfroyal CTAC Synonym
- N,N,N-Trimethyl-1-hexadecanaminium chloride Synonym
- Arquad 16 Synonym
- Pionin B 611 Synonym
- Arquad 16-25W Synonym
- FSM 28 Synonym
- Carsoquat CT 429 Synonym
- Swanol CA 2350 Synonym
- Catinal CTC 70ET Synonym
- HDTMA-Cl Synonym
- Ammonyx Cetac 30 Synonym
- Quartamin 60W Synonym
- Arquad 16-29W Synonym
- Quatramine C 16/29 Synonym
- Lebon TM 60 Synonym
- BP 40 Synonym
- Dehyquart A-CA Synonym
- Varisoft 300 Synonym
- Arquad 16-26 Synonym
- Arquad 16-25LO Synonym
- Incroquat CTC 30 Synonym
- Cetac 30 Synonym
- Catiogen TMP Synonym
- Protaquat CT 29 Synonym
- CTAC 30KC Synonym
- C 16TAC Synonym
- Genamin CTAC 50 Synonym
- Genamin CTAC 50ET Synonym
- CTACL Synonym
- 1631CL Synonym
- Arquad 16-25 Synonym
- Cationic 1631 Synonym
- D 1631 Synonym
- Carsoquat CT 425 Synonym
- Dehyquart A-CE Synonym
- Ammonyx Cetac Synonym
- Adogen 444-29 Synonym
- CA 2350 Synonym
- CTAC 1 Synonym
- Catiogen TMR Synonym
- Cetyltrimethylammomium chloride Synonym
- Aliquat 1529 Synonym
- Nissan Cation PB 40R Synonym
- Ammonyx CETAC 25 Synonym
- Cation PB 300 Synonym
- N-Palmityl-N,N,N-trimethylammonium chloride Synonym
- Saboquat Synonym
- Quartamin 60W30 Synonym
- CTAC CT-429 Synonym
- CM 29 Synonym
- Cationic Surfactant 1631 Synonym
- Lipoquad 16-29 Synonym
- Nikkol CA-2350E Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 320.01 g/mol | CAS Common Chemistry |
| 320.005 g/mol | RDKit | |
| 320.002 g/mol | chempirical lib | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.88 g/cm3 @ 60 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cetrimonium_chloride | CAS Common Chemistry |
| Canonical SMILES | [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=WOWHHFRSBJGXCM-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 70 °C | CAS Common Chemistry |
| Name | Hexadecyltrimethylammonium chloride | CAS Common Chemistry |
| Cetrimonium chloride | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.177900000000001 | RDKit |
| 3.1779 | RDKit | |
| Molar Refractivity | 93.21140000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 319.30057802399995 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 |
|---|
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
Convert
Quick conversion
MW = 320.01 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
