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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 Mass:
117.19 g/mol
Names and Synonyms:
2-(Dimethylamino)-2-Methyl-1-Propanol
1-Propanol, 2-(dimethylamino)-2-methyl-
2-(Dimethylamino)-2-methyl-1-propanol
2-(N,N-Dimethylamino)-2-methyl-1-propanol
2-(Dimethylamino)-2-methylpropyl alcohol
DMAMP
N,N-Dimethyl-2-amino-2-methylpropan-1-ol
DMAMP 80
T-Amine WR 500
NSC 17706
Identifiers:
SMILES:
CN(C)C(C)(C)CO
InChI:
InChI=1S/C6H15NO/c1-6(2,5-8)7(3)4/h8H,5H2,1-4H3
Key Properties
Boiling Point
160 °C
CAS Common Chemistry
Melting Point
19 °C
CAS Common Chemistry
Density
0.90 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 | 117.19 g/mol | CAS Common Chemistry |
| 117.19199999999998 g/mol | RDKit | |
| 117.1153641 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9007 g/cm3 @ Temp: 27 °C | CAS Common Chemistry | |
| Boiling Point | 160 °C | CAS Common Chemistry |
| Canonical SMILES | OCC(N(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO/c1-6(2,5-8)7(3)4/h8H,5H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XRIBIDPMFSLGFS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 19 °C | CAS Common Chemistry |
| Name | 2-(Dimethylamino)-2-methyl-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 0.3188999999999998 | RDKit |
| Molar Refractivity | 34.85179999999999 | RDKit |
Related Molecules
Other compounds with formula C6H15NO
