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Dodecylammonium Chloride
CAS: 929-73-7 | C12H28ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
929-73-7
Molecular Formula:
C12H28ClN
Molecular Mass:
221.82 g/mol
Names and Synonyms:
Dodecylammonium Chloride
1-Dodecanamine, hydrochloride (1:1)
Dodecylamine, hydrochloride
1-Dodecanamine, hydrochloride
Dodecylammonium chloride
Laurylamine hydrochloride
1-Aminododecane hydrochloride
n-Dodecylammonium chloride
Dodecanamine hydrochloride
Laurylammonium chloride
n-Dodecylamine hydrochloride
Identifiers:
SMILES:
CCCCCCCCCCCCN.Cl
InChI:
InChI=1S/C12H27N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H
Key Properties
Melting Point
183-186 °C (decomp)
CAS Common Chemistry
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.82 g/mol | CAS Common Chemistry |
| 221.81599999999997 g/mol | RDKit | |
| 221.19102757599998 g/mol | RDKit | |
| Canonical SMILES | Cl.NCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H27N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=TWFQJFPTTMIETC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 183-186 °C (decomp) | CAS Common Chemistry |
| Name | Dodecylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 4.287800000000003 | RDKit |
| Molar Refractivity | 68.14640000000004 | RDKit |
