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Dimethylaminoisopropanol
CAS: 108-16-7 | C5H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-16-7
Molecular Formula:
C5H13NO
Molecular Weight:
103.16499999999999 g/mol
Names and Synonyms:
Dimethylaminoisopropanol
DMA 2P
2-(Dimethylamino)-1-methyl-1-ethanol
1-Methyl-2-(dimethylamino)ethanol
NSC 3163
N,N-Dimethyl-2-hydroxy-1-propanamine
Bisomer Amine D 700
2-(Dimethylamino)-1-methylethanol
Dimepranol
DL-1-(Dimethylamino)-2-propanol
(±)-1-(N,N-Dimethylamino)-2-propanol
(±)-1-(Dimethylamino)-2-propanol
N,N-Dimethylamino-2-propanol
N,N-Dimethyl-2-hydroxypropylamine
3-(Dimethylamino)-2-propanol
N,N-Dimethylisopropanolamine
Dimethyl(2-hydroxypropyl)amine
Dimethylisopropanolamine
1-(Dimethylamino)-2-propanol
2-Propanol, 1-(dimethylamino)-
Identifiers:
SMILES:
CC(O)CN(C)C
InChI:
InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3
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 | 103.16499999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 103.099714036 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 23.47 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.07119999999999993 | RDKit |
| molecular_mass | 103.16 g/mol | Legacy Database |
| density | 0.86 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethylaminoisopropanol None | Legacy Database |
| cas-boiling-point | 124.5 °C None | Legacy Database |
| cas-canonical-smile | OC(C)CN(C)C None | Legacy Database |
| cas-density | 0.855 g/cm3 @ Temp: 26 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NCXUNZWLEYGQAH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 124 °C None | Legacy Database |
| cas-name | 1-(Dimethylamino)-2-propanol None | Legacy Database |
| wikipedia-name | Dimethylaminoisopropanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.234799999999982 | RDKit |
