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Molecule
2-(Tert-Butylamino)Ethanol
CAS: 4620-70-6 · C6H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4620-70-6
- Molecular Formula
- C6H15NO
- Molecular Mass
- 117.19 g/mol
Identifiers
CAS Registry Number
4620-70-6
SMILES
CC(C)(C)NCCO
InChI Key
IUXYVKZUDNLISR-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NO/c1-6(2,3)7-4-5-8/h7-8H,4-5H2,1-3H3
Names and Synonyms
- 2-(Tert-Butylamino)Ethanol Systematic Name
- Ethanol, 2-[(1,1-dimethylethyl)amino]- Synonym
- Ethanol, 2-(tert-butylamino)- Synonym
- 2-[(1,1-Dimethylethyl)amino]ethanol Synonym
- 2-(tert-Butylamino)ethanol Synonym
- β-tert-Butylaminoethanol Synonym
- N-tert-Butylethanolamine Synonym
- 2-(t-Butylamino)ethanol Synonym
- NSC 78430 Synonym
- tert-Butyl(2-hydroxyethyl)amine Synonym
- tert-Butylethanolamine Synonym
- 2-(tert-Butylamino)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | 44 °C | CAS Common Chemistry |
| InChI Key | InChIKey=IUXYVKZUDNLISR-UHFFFAOYSA-N | CAS Common Chemistry |
| Molecular Mass | 117.19 g/mol | CAS Common Chemistry |
| 117.192 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 |
| 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 |
| 0.3668 | RDKit | |
| Molar Refractivity | 34.84149999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 117.1153641 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 117.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15NO.
