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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 Mass:
103.16 g/mol
Names and Synonyms:
Dimethylaminoisopropanol
2-Propanol, 1-(dimethylamino)-
1-(Dimethylamino)-2-propanol
Dimethylisopropanolamine
Dimethyl(2-hydroxypropyl)amine
N,N-Dimethylisopropanolamine
3-(Dimethylamino)-2-propanol
N,N-Dimethyl-2-hydroxypropylamine
N,N-Dimethylamino-2-propanol
(±)-1-(Dimethylamino)-2-propanol
(±)-1-(N,N-Dimethylamino)-2-propanol
DL-1-(Dimethylamino)-2-propanol
Dimepranol
2-(Dimethylamino)-1-methylethanol
Bisomer Amine D 700
N,N-Dimethyl-2-hydroxy-1-propanamine
NSC 3163
1-Methyl-2-(dimethylamino)ethanol
2-(Dimethylamino)-1-methyl-1-ethanol
DMA 2P
Identifiers:
SMILES:
CC(O)CN(C)C
InChI:
InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3
Key Properties
Boiling Point
124.5 °C
CAS Common Chemistry
Melting Point
124 °C
CAS Common Chemistry
Density
0.86 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 | 103.16 g/mol | CAS Common Chemistry |
| 103.16499999999999 g/mol | RDKit | |
| 103.099714036 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.855 g/cm3 @ Temp: 26 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylaminoisopropanol | CAS Common Chemistry |
| Boiling Point | 124.5 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NCXUNZWLEYGQAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124 °C | CAS Common Chemistry |
| Name | 1-(Dimethylamino)-2-propanol | CAS Common Chemistry |
| Dimethylaminoisopropanol | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | -0.07119999999999993 | RDKit |
| Molar Refractivity | 30.234799999999982 | RDKit |
