Back to Search
2-Propanamine, N-(1-Methylethyl)-, Hydrochloride (1:1)
CAS: 819-79-4 | C6H16ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
819-79-4
Molecular Formula:
C6H16ClN
Molecular Weight:
137.654 g/mol
Names and Synonyms:
2-Propanamine, N-(1-Methylethyl)-, Hydrochloride (1:1)
2-Propanamine, N-(1-methylethyl)-, hydrochloride (1:1)
Diisopropylamine, hydrochloride
2-Propanamine, N-(1-methylethyl)-, hydrochloride
Diethylamine, dimethyl-, hydrochloride
Diisopropylammonium chloride
Bis(isopropyl)ammonium chloride
Identifiers:
SMILES:
CC(C)NC(C)C.Cl
InChI:
InChI=1S/C6H15N.ClH/c1-5(2)7-6(3)4;/h5-7H,1-4H3;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 | 137.65 g/mol | Legacy Database |
| cas-canonical-smile | Cl.N(C(C)C)C(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15N.ClH/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=URAZVWXGWMBUGJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 210.5-213 °C None | Legacy Database |
| cas-name | 2-Propanamine, N-(1-methylethyl)-, hydrochloride (1:1) None | Legacy Database |
| LogP | 1.8146 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.654 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.097127192 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.03 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.65570000000001 | RDKit |
