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Molecule
1-Aminoethanol
CAS: 75-39-8 · C2H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-39-8
- Molecular Formula
- C2H7NO
- Molecular Mass
- 61.08 g/mol
Identifiers
CAS Registry Number
75-39-8
SMILES
CC(N)O
InChI Key
UJPKMTDFFUTLGM-UHFFFAOYSA-N
InChI
InChI=1S/C2H7NO/c1-2(3)4/h2,4H,3H2,1H3
Names and Synonyms
- 1-Aminoethanol Systematic Name
- Ethanol, 1-amino- Synonym
- Acetaldehyde ammonia Synonym
- 1-Aminoethanol Synonym
- α-Aminoethyl alcohol Synonym
- Aldehyde ammonia Synonym
- Accelerator AA Synonym
- Acetaldehyde, monoammoniate Synonym
- Acetaldehyde, compd. with NH3 Synonym
- 1-Aminoethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 61.08 g/mol | CAS Common Chemistry |
| 61.084 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Aminoethanol | CAS Common Chemistry |
| Canonical SMILES | OC(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H7NO/c1-2(3)4/h2,4H,3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UJPKMTDFFUTLGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 97 °C | CAS Common Chemistry |
| Name | Ethanol, 1-amino- | CAS Common Chemistry |
| 1-Aminoethanol | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | -0.7166 | RDKit |
| Molar Refractivity | 15.868200000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 61.052763844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 61.08 g/mol. Edit any field — others recompute live.
