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Tetrahydro-2H-Pyran-4-Amine Hydrochloride
CAS: 33024-60-1 | C5H12ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33024-60-1
Molecular Formula:
C5H12ClNO
Molecular Weight:
137.60999999999999 g/mol
Names and Synonyms:
Tetrahydro-2H-Pyran-4-Amine Hydrochloride
Tetrahydropyran-4-amine hydrochloride
Oxan-4-amine hydrochloride
(Tetrahydro-2H-pyran-4-yl)amine hydrochloride
4-Aminotetrahydro-2H-pyran hydrochloride
4-Aminotetrahydropyran hydrochloride
Tetrahydro-2H-pyran-4-amine hydrochloride
Tetrahydro-2H-pyran-4-ylamine monohydrochloride
Perhydro-2H-pyran-4-ylamine hydrochloride
4-Aminotetrahydro-4H-pyran hydrochloride
2H-Pyran-4-amine, tetrahydro-, hydrochloride
2H-Pyran-4-amine, tetrahydro-, hydrochloride (1:1)
4-Aminotetrahydro-4H-pyran monohydrochloride
Identifiers:
SMILES:
Cl.NC1CCOCC1
InChI:
InChI=1S/C5H11NO.ClH/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;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 |
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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 | 137.61 g/mol | Legacy Database |
| cas-canonical-smile | Cl.O1CCC(N)CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO.ClH/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;1H None | Legacy Database |
| cas-inchi-key | InChIKey=KWZSCXIYGVEHOB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 218-219 °C None | Legacy Database |
| cas-name | Tetrahydro-2H-pyran-4-amine hydrochloride None | Legacy Database |
| LogP | 0.5458999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.60999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.060741684 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 35.25 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.2764 | RDKit |
