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Molecule
Dodecylammonium Chloride
CAS: 929-73-7 · C12H28ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 929-73-7
- Molecular Formula
- C12H28ClN
- Molecular Mass
- 221.82 g/mol
Identifiers
CAS Registry Number
929-73-7
SMILES
CCCCCCCCCCCCN.Cl
InChI Key
TWFQJFPTTMIETC-UHFFFAOYSA-N
InChI
InChI=1S/C12H27N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H
Names and Synonyms
- Dodecylammonium Chloride Synonym
- 1-Dodecanamine, hydrochloride (1:1) Synonym
- Dodecylamine, hydrochloride Synonym
- 1-Dodecanamine, hydrochloride Synonym
- Dodecylammonium chloride Synonym
- Laurylamine hydrochloride Synonym
- 1-Aminododecane hydrochloride Synonym
- n-Dodecylammonium chloride Synonym
- Dodecanamine hydrochloride Synonym
- Laurylammonium chloride Synonym
- n-Dodecylamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.82 g/mol | CAS Common Chemistry |
| 221.81599999999997 g/mol | RDKit | |
| 221.816 g/mol | RDKit | |
| 221.813 g/mol | chempirical lib | |
| 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 |
| 4.2878 | RDKit | |
| Molar Refractivity | 68.14640000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 221.19102757599998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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
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MW = 221.82 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H28ClN.
