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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 Mass:
109.56 g/mol
Names and Synonyms:
3-Hydroxyazetidine Hydrochloride
3-Azetidinol, hydrochloride (1:1)
3-Azetidinol, hydrochloride
3-Hydroxyazetidine hydrochloride
Azetidine-3-ol hydrochloride
Azetidin-3-ol hydrochloride
3-Hydroxyazetedine hydrochloride
Identifiers:
SMILES:
Cl.OC1CNC1
InChI:
InChI=1S/C3H7NO.ClH/c5-3-1-4-2-3;/h3-5H,1-2H2;1H
Key Properties
Melting Point
91-92 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 109.56 g/mol | CAS Common Chemistry |
| 109.55600000000001 g/mol | RDKit | |
| 109.029441556 g/mol | RDKit | |
| Canonical SMILES | Cl.OC1CNC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO.ClH/c5-3-1-4-2-3;/h3-5H,1-2H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=UQUPQEUNHVVNKW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 91-92 °C | CAS Common Chemistry |
| Name | 3-Hydroxyazetidine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | -0.6277000000000001 | RDKit |
| Molar Refractivity | 26.124499999999994 | RDKit |
