Back to Search
(3-Chloropropyl)dimethylamine
CAS: 109-54-6 | C5H12ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
109-54-6
Molecular Formula:
C5H12ClN
Molecular Weight:
121.611 g/mol
Names and Synonyms:
(3-Chloropropyl)dimethylamine
1-Chloro-3-(dimethylamino)propane
3-Chloro-N,N-Dimethyl-1-Propanamine
1-Propanamine, 3-chloro-N,N-dimethyl-
Propylamine, 3-chloro-N,N-dimethyl-
3-Chloro-N,N-dimethyl-1-propanamine
3-(Dimethylamino)propyl chloride
3-(N,N-Dimethylamino)propyl chloride
γ-Chloropropyldimethylamine
γ-Dimethylaminopropyl chloride
3-Chloro-N,N-dimethylpropanamine
3-Chloro-N,N-dimethylpropylamine
3-(Dimethylamino)chloropropane
Dimethylaminopropyl chloride
N-(3-Chloropropyl)dimethylamine
N,N-Dimethyl-3-chloropropylamine
3-Dimethylamino-1-chloropropane
N-(3-Chloropropyl)-N,N-dimethylamine
N,N-Dimethyl-3-chloro-1-propanamine
Dimethyl(3-chloropropyl)amine
1-Dimethylamino-3-chloropropane
3-(Dimethylamino)-1-propyl chloride
3-Chloro-1-(dimethylamino)propane
3-Dimethylaminopropan-1-yl chloride
N,N-Dimethyl-3-chloropropanamine
3-Chloro-1-(N,N-dimethylamino)propane
3-(N,N-Dimethylamino)-1-chloropropane
Identifiers:
SMILES:
CN(C)CCCCl
InChI:
InChI=1S/C5H12ClN/c1-7(2)5-3-4-6/h3-5H2,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 121.611 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 121.06582706399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 3.24 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.1769 | RDKit |
| molecular_mass | 121.61 g/mol | Legacy Database |
| density | 0.93 g/cm³ | Legacy Database |
| cas-boiling-point | 140 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | ClCCCN(C)C None | Legacy Database |
| cas-density | 0.9287 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H12ClN/c1-7(2)5-3-4-6/h3-5H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NYYRRBOMNHUCLB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 182-188 °C None | Legacy Database |
| cas-name | 3-Chloro-N,N-dimethyl-1-propanamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.89099999999999 | RDKit |
