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2-Propanamine, Hydrochloride (1:1)
CAS: 15572-56-2 | C3H10ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15572-56-2
Molecular Formula:
C3H10ClN
Molecular Weight:
95.573 g/mol
Names and Synonyms:
2-Propanamine, Hydrochloride (1:1)
2-Propanamine, hydrochloride (1:1)
Isopropylamine, hydrochloride
2-Propanamine, hydrochloride
Monoisopropylammonium chloride
Isopropylammonium chloride
iso-Propylamine hydrochloride
Identifiers:
SMILES:
CC(C)N.Cl
InChI:
InChI=1S/C3H9N.ClH/c1-3(2)4;/h3H,4H2,1-2H3;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 |
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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 | 95.57 g/mol | Legacy Database |
| cas-canonical-smile | Cl.NC(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C3H9N.ClH/c1-3(2)4;/h3H,4H2,1-2H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=ISYORFGKSZLPNW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 94 °C @ Solvent: Ethanol, Ethyl acetate None | Legacy Database |
| cas-name | 2-Propanamine, hydrochloride (1:1) None | Legacy Database |
| LogP | 0.7752999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 95.573 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 95.05017699999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 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 | 26.02 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.571399999999993 | RDKit |
