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Molecule
Choline Chloride
CAS: 67-48-1 · C5H14ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 67-48-1
- Molecular Formula
- C5H14ClNO
- Molecular Mass
- 139.63 g/mol
Identifiers
CAS Registry Number
67-48-1
SMILES
C[N+](C)(C)CCO.[Cl-]
InChI Key
SGMZJAMFUVOLNK-UHFFFAOYSA-M
InChI
InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
Names and Synonyms
- Choline Chloride Synonym
- Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride (1:1) Synonym
- Choline, chloride Synonym
- Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride Synonym
- Biocolina Synonym
- Hepacholine Synonym
- (2-Hydroxyethyl)trimethylammonium chloride Synonym
- Lipotril Synonym
- Cholinium chloride Synonym
- (β-Hydroxyethyl)trimethylammonium chloride Synonym
- Bilineurin chloride Synonym
- Luridin chloride Synonym
- Biocoline Synonym
- Hormocline Synonym
- Neocolina Synonym
- Paresan Synonym
- Trimethyl(2-hydroxyethyl)ammonium chloride Synonym
- Actiron CC 6 Synonym
- Choline chloride Synonym
- Norcol 25 Synonym
- COL 24 Synonym
- ReaShure Choline Synonym
- Claytreat Synonym
- (2-Hydroxyethyl)trimethylazanium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.63 g/mol | CAS Common Chemistry |
| 139.62599999999998 g/mol | RDKit | |
| 139.626 g/mol | RDKit | |
| 139.623 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Choline_chloride | CAS Common Chemistry |
| Canonical SMILES | [Cl-].OCC[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=SGMZJAMFUVOLNK-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 305 °C (decomp) | CAS Common Chemistry |
| Name | Choline chloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -3.3110999999999975 | RDKit |
| -3.3111 | RDKit | |
| Molar Refractivity | 29.985199999999985 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 139.076391748 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 139.63 g/mol. Edit any field — others recompute live.
