Back to Search
3-Amino-2,2-Dimethyl-1-Propanol
CAS: 26734-09-8 | C5H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26734-09-8
Molecular Formula:
C5H13NO
Molecular Weight:
103.16499999999999 g/mol
Names and Synonyms:
3-Amino-2,2-Dimethyl-1-Propanol
1-Propanol, 3-amino-2,2-dimethyl-
3-Amino-2,2-dimethyl-1-propanol
2,2-Dimethyl-3-aminopropanol
Neopentanolamine
3-Hydroxy-2,2-dimethylpropylamine
3-Amino-2,2-dimethylpropanol
2,2-Dimethyl-3-amino-1-propanol
1-Amino-2,2-dimethyl-3-propanol
2,2-Dimethyl-3-hydroxypropanamine
2,2-Dimethyl-3-hydroxypropylamine
3-Hydroxy-2,2-dimethylpropanamine
Identifiers:
SMILES:
CC(C)(CN)CO
InChI:
InChI=1S/C5H13NO/c1-5(2,3-6)4-7/h7H,3-4,6H2,1-2H3
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 | 103.17 g/mol | Legacy Database |
| cas-boiling-point | 95-105 °C @ Press: 35 Torr None | Legacy Database |
| cas-canonical-smile | OCC(C)(C)CN None | Legacy Database |
| cas-inchi | InChI=1S/C5H13NO/c1-5(2,3-6)4-7/h7H,3-4,6H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FNVOFDGAASRDQY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 98-100 °C None | Legacy Database |
| cas-name | 3-Amino-2,2-dimethyl-1-propanol None | Legacy Database |
| LogP | -0.03639999999999982 | RDKit |
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 | 2 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 | 46.25 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.92119999999999 | RDKit |
