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Molecule
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
Identifiers
CAS Registry Number
108-16-7
SMILES
CC(O)CN(C)C
InChI Key
NCXUNZWLEYGQAH-UHFFFAOYSA-N
InChI
InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3
Names and Synonyms
- Dimethylaminoisopropanol Common Name
- 2-Propanol, 1-(dimethylamino)- Synonym
- 1-(Dimethylamino)-2-propanol Synonym
- Dimethylisopropanolamine Synonym
- Dimethyl(2-hydroxypropyl)amine Synonym
- N,N-Dimethylisopropanolamine Synonym
- 3-(Dimethylamino)-2-propanol Synonym
- N,N-Dimethyl-2-hydroxypropylamine Synonym
- N,N-Dimethylamino-2-propanol Synonym
- (±)-1-(Dimethylamino)-2-propanol Synonym
- (±)-1-(N,N-Dimethylamino)-2-propanol Synonym
- DL-1-(Dimethylamino)-2-propanol Synonym
- Dimepranol Synonym
- 2-(Dimethylamino)-1-methylethanol Synonym
- Bisomer Amine D 700 Synonym
- N,N-Dimethyl-2-hydroxy-1-propanamine Synonym
- NSC 3163 Synonym
- 1-Methyl-2-(dimethylamino)ethanol Synonym
- 2-(Dimethylamino)-1-methyl-1-ethanol Synonym
- DMA 2P Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.16 g/mol | CAS Common Chemistry |
| 103.16499999999999 g/mol | RDKit | |
| 103.165 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.855 g/cm3 @ 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 |
| 23.24 Ų | chempirical lib | |
| LogP | -0.07119999999999993 | RDKit |
| -0.0712 | RDKit | |
| Molar Refractivity | 30.234799999999982 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 103.099714036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
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MW = 103.16 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13NO.
