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1-Aminoethanol
CAS: 75-39-8 | C2H7NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
75-39-8
Molecular Formula:
C2H7NO
Molecular Mass:
61.08 g/mol
Names and Synonyms:
1-Aminoethanol
Ethanol, 1-amino-
Acetaldehyde ammonia
1-Aminoethanol
α-Aminoethyl alcohol
Aldehyde ammonia
Accelerator AA
Acetaldehyde, monoammoniate
Acetaldehyde, compd. with NH3
1-Aminoethan-1-ol
Identifiers:
SMILES:
CC(N)O
InChI:
InChI=1S/C2H7NO/c1-2(3)4/h2,4H,3H2,1H3
Key Properties
Melting Point
97 °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 | 61.08 g/mol | CAS Common Chemistry |
| 61.084 g/mol | RDKit | |
| 61.052763844 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 | RDKit |
