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2-(Dimethylamino)-2-Methyl-1-Propanol
CAS: 7005-47-2 | C6H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7005-47-2
Molecular Formula:
C6H15NO
Molecular Weight:
117.19199999999998 g/mol
Names and Synonyms:
2-(Dimethylamino)-2-Methyl-1-Propanol
NSC 17706
T-Amine WR 500
DMAMP 80
N,N-Dimethyl-2-amino-2-methylpropan-1-ol
DMAMP
2-(Dimethylamino)-2-methylpropyl alcohol
2-(N,N-Dimethylamino)-2-methyl-1-propanol
2-(Dimethylamino)-2-methyl-1-propanol
1-Propanol, 2-(dimethylamino)-2-methyl-
Identifiers:
SMILES:
CN(C)C(C)(C)CO
InChI:
InChI=1S/C6H15NO/c1-6(2,5-8)7(3)4/h8H,5H2,1-4H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 117.19 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| cas-boiling-point | 160 °C None | Legacy Database |
| cas-canonical-smile | OCC(N(C)C)(C)C None | Legacy Database |
| cas-density | 0.9007 g/cm3 @ Temp: 27 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15NO/c1-6(2,5-8)7(3)4/h8H,5H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=XRIBIDPMFSLGFS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 19 °C None | Legacy Database |
| cas-name | 2-(Dimethylamino)-2-methyl-1-propanol None | Legacy Database |
| LogP | 0.3188999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 117.19199999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 117.1153641 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.85179999999999 | RDKit |
