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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 Weight:
153.653 g/mol
Names and Synonyms:
Ethanol, 2-(Diethylamino)-, Hydrochloride (1:1)
(Diethylamino)ethanol hydrochloride
Perdilaton
Dehydasal
2-(Diethylamino)ethanol hydrochloride
Ethanol, 2-(diethylamino)-, hydrochloride
Ethanol, 2-(diethylamino)-, hydrochloride (1:1)
Identifiers:
SMILES:
CCN(CC)CCO.Cl
InChI:
InChI=1S/C6H15NO.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 153.653 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.092041812 g/mol | RDKit |
| Heavy | Heavy Atom Count | 9 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 4 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 23.47 Ų | RDKit |
| Physical Properties | LogP | 0.7423 | RDKit |
| molecular_mass | 153.65 g/mol | Legacy Database | |
| cas-canonical-smile | Cl.OCCN(CC)CC | Legacy Database | |
| cas-inchi | InChI=1S/C6H15NO.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H | Legacy Database | |
| cas-inchi-key | InChIKey=DBQUKJMNGUJRFI-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 135-136 °C | Legacy Database | |
| cas-name | Ethanol, 2-(diethylamino)-, hydrochloride (1:1) | Legacy Database | |
| Molar | Molar Refractivity | 42.12180000000001 | RDKit |
