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1-Propanamine, 2-Chloro-N,N-Dimethyl-, Hydrochloride (1:1)
CAS: 4584-49-0 | C5H13Cl2N
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
4584-49-0
Molecular Formula:
C5H13Cl2N
Molecular Mass:
158.07 g/mol
Names and Synonyms:
1-Propanamine, 2-Chloro-N,N-Dimethyl-, Hydrochloride (1:1)
1-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)
Propylamine, 2-chloro-N,N-dimethyl-, hydrochloride
1-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride
2-Chloro-N,N-dimethyl-1-propanamine hydrochloride
1-Methyl-2-dimethylaminoethyl chloride hydrochloride
(2-Chloropropyl)dimethylamine monohydrochloride
N,N-Dimethyl-2-chloropropylamine hydrochloride
2-(Dimethylamino)isopropyl chloride hydrochloride
2-(Dimethylamino)-1-methylethyl chloride hydrochloride
2-Chloro-N′,N′-dimethylaminopropane hydrochloride
2-Chloro-N,N-dimethylaminopropane hydrochloride
1-(Dimethylamino)-2-chloropropane hydrochloride
Dimethylaminoisopropyl chloride hydrochloride
1-Dimethylamino-2-propyl chloride hydrochloride
NSC 53532
NSC 5367
1-Dimethylaminopropan-2-yl chloride hydrochloride
(2-Chloropropyl)dimethylamine hydrochloride
2-Chloro-N,N-dimethylpropylamine hydrochloride
(2-Chloropropyl)dimethylazanium chloride
Identifiers:
SMILES:
CC(Cl)CN(C)C.Cl
InChI:
InChI=1S/C5H12ClN.ClH/c1-5(6)4-7(2)3;/h5H,4H2,1-3H3;1H
Key Properties
Melting Point
196 °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 | 158.07 g/mol | CAS Common Chemistry |
| 158.07200000000003 g/mol | RDKit | |
| 157.042504776 g/mol | RDKit | |
| Canonical SMILES | Cl.ClC(C)CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H12ClN.ClH/c1-5(6)4-7(2)3;/h5H,4H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=OCWGRWAYARCRTQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196 °C | CAS Common Chemistry |
| Name | 1-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 1.5971 | RDKit |
| Molar Refractivity | 41.11700000000002 | RDKit |
