Back to Search
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 Mass:
137.61 g/mol
Names and Synonyms:
Tetrahydro-2H-Pyran-4-Amine Hydrochloride
4-Aminotetrahydro-4H-pyran monohydrochloride
2H-Pyran-4-amine, tetrahydro-, hydrochloride (1:1)
2H-Pyran-4-amine, tetrahydro-, hydrochloride
4-Aminotetrahydro-4H-pyran hydrochloride
Perhydro-2H-pyran-4-ylamine hydrochloride
Tetrahydro-2H-pyran-4-ylamine monohydrochloride
Tetrahydro-2H-pyran-4-amine hydrochloride
4-Aminotetrahydropyran hydrochloride
4-Aminotetrahydro-2H-pyran hydrochloride
(Tetrahydro-2H-pyran-4-yl)amine hydrochloride
Oxan-4-amine hydrochloride
Tetrahydropyran-4-amine hydrochloride
Identifiers:
SMILES:
Cl.NC1CCOCC1
InChI:
InChI=1S/C5H11NO.ClH/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;1H
Key Properties
Melting Point
218-219 °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 | 137.61 g/mol | CAS Common Chemistry |
| 137.60999999999999 g/mol | RDKit | |
| 137.060741684 g/mol | RDKit | |
| Canonical SMILES | Cl.O1CCC(N)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO.ClH/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=KWZSCXIYGVEHOB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 218-219 °C | CAS Common Chemistry |
| Name | Tetrahydro-2H-pyran-4-amine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 0.5458999999999998 | RDKit |
| Molar Refractivity | 35.2764 | RDKit |
