Back to Search
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 Weight:
61.084 g/mol
Names and Synonyms:
1-Aminoethanol
Common Name
1-Aminoethan-1-ol
Synonym
Acetaldehyde, compd. with NH3
Synonym
Acetaldehyde, monoammoniate
Synonym
Accelerator AA
Synonym
Aldehyde ammonia
Synonym
α-Aminoethyl alcohol
Synonym
1-Aminoethanol
Synonym
Acetaldehyde ammonia
Synonym
Ethanol, 1-amino-
Synonym
Identifiers:
SMILES:
CC(N)O
InChI:
InChI=1S/C2H7NO/c1-2(3)4/h2,4H,3H2,1H3
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 | 61.08 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1-Aminoethanol None | Legacy Database |
| cas-canonical-smile | OC(N)C None | Legacy Database |
| cas-inchi | InChI=1S/C2H7NO/c1-2(3)4/h2,4H,3H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UJPKMTDFFUTLGM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 97 °C None | Legacy Database |
| cas-name | Ethanol, 1-amino- None | Legacy Database |
| wikipedia-name | 1-Aminoethanol None | Legacy Database |
| LogP | -0.7166 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 61.084 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 61.052763844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 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 | 15.868200000000002 | RDKit |