Back to Search
3-Hydroxyazetidine Hydrochloride
CAS: 18621-18-6 | C3H8ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18621-18-6
Molecular Formula:
C3H8ClNO
Molecular Weight:
109.55600000000001 g/mol
Names and Synonyms:
3-Hydroxyazetidine Hydrochloride
3-Hydroxyazetedine hydrochloride
Azetidin-3-ol hydrochloride
Azetidine-3-ol hydrochloride
3-Hydroxyazetidine hydrochloride
3-Azetidinol, hydrochloride
3-Azetidinol, hydrochloride (1:1)
Identifiers:
SMILES:
Cl.OC1CNC1
InChI:
InChI=1S/C3H7NO.ClH/c5-3-1-4-2-3;/h3-5H,1-2H2;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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 109.56 g/mol | Legacy Database |
| cas-canonical-smile | Cl.OC1CNC1 None | Legacy Database |
| cas-inchi | InChI=1S/C3H7NO.ClH/c5-3-1-4-2-3;/h3-5H,1-2H2;1H None | Legacy Database |
| cas-inchi-key | InChIKey=UQUPQEUNHVVNKW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 91-92 °C None | Legacy Database |
| cas-name | 3-Hydroxyazetidine hydrochloride None | Legacy Database |
| LogP | -0.6277000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 109.55600000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 109.029441556 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.26 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.124499999999994 | RDKit |
