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1-Amino-2-Methyl-2-Propanol
CAS: 2854-16-2 | C4H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2854-16-2
Molecular Formula:
C4H11NO
Molecular Mass:
89.14 g/mol
Names and Synonyms:
1-Amino-2-Methyl-2-Propanol
2-Propanol, 1-amino-2-methyl-
1-Amino-2-methyl-2-propanol
3-Amino-2-methyl-2-propanol
2-Amino-α,α-dimethylethanol
2-Hydroxyisobutylamine
2-Hydroxy-2-methyl-1-propylamine
2-Methyl-2-hydroxypropylamine
NSC 17697
1,1-Dimethylethanolamine
2-Hydroxy-2-methylpropan-1-amine
2-Hydroxy-2-methylpropanamine
tert-Butanolamine
Identifiers:
SMILES:
CC(C)(O)CN
InChI:
InChI=1S/C4H11NO/c1-4(2,6)3-5/h6H,3,5H2,1-2H3
Key Properties
Boiling Point
150-150.5 °C
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 | 89.14 g/mol | CAS Common Chemistry |
| 89.13800000000002 g/mol | RDKit | |
| 89.084063972 g/mol | RDKit | |
| Boiling Point | 150-150.5 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)(C)CN | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO/c1-4(2,6)3-5/h6H,3,5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LXQMHOKEXZETKB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Amino-2-methyl-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | -0.2839999999999999 | RDKit |
| Molar Refractivity | 25.352199999999996 | RDKit |
