Back to Search
Molecule
Ethanol, 2-(Diethylamino)-, Hydrochloride (1:1)
CAS: 14426-20-1 · C6H16ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14426-20-1
- Molecular Formula
- C6H16ClNO
- Molecular Mass
- 153.65 g/mol
Identifiers
CAS Registry Number
14426-20-1
SMILES
CCN(CC)CCO.Cl
InChI Key
DBQUKJMNGUJRFI-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NO.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H
Names and Synonyms
- Ethanol, 2-(Diethylamino)-, Hydrochloride (1:1) Systematic Name
- Ethanol, 2-(diethylamino)-, hydrochloride (1:1) Synonym
- Ethanol, 2-(diethylamino)-, hydrochloride Synonym
- 2-(Diethylamino)ethanol hydrochloride Synonym
- Dehydasal Synonym
- Perdilaton Synonym
- (Diethylamino)ethanol hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.65 g/mol | CAS Common Chemistry |
| 153.653 g/mol | RDKit | |
| Canonical SMILES | Cl.OCCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=DBQUKJMNGUJRFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135-136 °C | CAS Common Chemistry |
| Name | Ethanol, 2-(diethylamino)-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 0.7423 | RDKit |
| Molar Refractivity | 42.12180000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 153.092041812 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 = 153.65 g/mol. Edit any field — others recompute live.
