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2-(Tert-Butylamino)Ethanol
CAS: 4620-70-6 | C6H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4620-70-6
Molecular Formula:
C6H15NO
Molecular Mass:
117.19 g/mol
Names and Synonyms:
2-(Tert-Butylamino)Ethanol
Ethanol, 2-[(1,1-dimethylethyl)amino]-
Ethanol, 2-(tert-butylamino)-
2-[(1,1-Dimethylethyl)amino]ethanol
2-(tert-Butylamino)ethanol
β-tert-Butylaminoethanol
N-tert-Butylethanolamine
2-(t-Butylamino)ethanol
NSC 78430
tert-Butyl(2-hydroxyethyl)amine
tert-Butylethanolamine
2-(tert-Butylamino)ethan-1-ol
Identifiers:
SMILES:
CC(C)(C)NCCO
InChI:
InChI=1S/C6H15NO/c1-6(2,3)7-4-5-8/h7-8H,4-5H2,1-3H3
Key Properties
Boiling Point
176.5 °C
CAS Common Chemistry
Melting Point
44 °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 | 117.19 g/mol | CAS Common Chemistry |
| 117.192 g/mol | RDKit | |
| 117.1153641 g/mol | RDKit | |
| Boiling Point | 176.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCCNC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO/c1-6(2,3)7-4-5-8/h7-8H,4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IUXYVKZUDNLISR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 44 °C | CAS Common Chemistry |
| Name | 2-(tert-Butylamino)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 0.36679999999999985 | RDKit |
| Molar Refractivity | 34.84149999999999 | RDKit |
