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3-(Dimethylamino)-1-Propanol
CAS: 3179-63-3 | C5H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3179-63-3
Molecular Formula:
C5H13NO
Molecular Mass:
103.17 g/mol
Names and Synonyms:
3-(Dimethylamino)-1-Propanol
1-Propanol, 3-(dimethylamino)-
3-(Dimethylamino)-1-propanol
N,N-Dimethyl-γ-aminopropanol
γ-(Dimethylamino)propanol
1-Dimethylamino-3-propanol
3-(Dimethylamino)propanol
3-(N,N-Dimethylamino)propanol
N,N-Dimethyl-3-amino-1-propanol
3-(N,N-Dimethylamino)-1-propanol
N,N-Dimethyl-3-hydroxypropylamine
N,N-Dimethylpropanolamine
Dimethylpropanolamine
N,N-Dimethyl-3-aminopropanol
NSC 62086
3-(Dimethylamino)propyl alcohol
Identifiers:
SMILES:
CN(C)CCCO
InChI:
InChI=1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3
Key Properties
Boiling Point
163.5 °C
CAS Common Chemistry
Melting Point
145-147 °C
CAS Common Chemistry
Density
0.88 g/cm³
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 | 103.17 g/mol | CAS Common Chemistry |
| 103.16499999999999 g/mol | RDKit | |
| 103.099714036 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.8816 g/cm3 @ Temp: 21 °C | CAS Common Chemistry | |
| Boiling Point | 163.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PYSGFFTXMUWEOT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145-147 °C | CAS Common Chemistry |
| Name | 3-(Dimethylamino)-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | -0.06960000000000005 | RDKit |
| Molar Refractivity | 30.256799999999984 | RDKit |
