Back to Search
Alaninol
CAS: 6168-72-5 | C3H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6168-72-5
Molecular Formula:
C3H9NO
Molecular Weight:
75.11099999999999 g/mol
Names and Synonyms:
Alaninol
Synonym
1-Propanol, 2-amino-
Synonym
1-Propanol, 2-amino-, DL-
Synonym
1-Propanol, 2-amino-, (±)-
Synonym
2-Amino-1-propanol
Synonym
dl-2-Aminopropanol
Synonym
DL-2-Amino-1-propanol
Synonym
DL-Alaninol
Synonym
(±)-2-Amino-1-propanol
Synonym
dl-Alaninol
Synonym
dl-2-Amino-1-propanol
Synonym
(±)-2-Aminopropanol
Synonym
Alaninol
Synonym
2-Aminopropanol
Synonym
β-Propanolamine
Synonym
1-Methyl-2-hydroxyethylamine
Synonym
2-Amino-2-methylethanol
Synonym
1-Hydroxy-2-aminopropane
Synonym
2-Hydroxy-1-methylethylamine
Synonym
β-Aminopropanol
Synonym
2-Amino-1-hydroxypropane
Synonym
Propanolamine
Synonym
(RS)-2-Amino-1-propanol
Synonym
(±)-Alaninol
Synonym
NSC 1360
Synonym
[1-(Hydroxymethyl)ethyl]amine
Synonym
1-Hydroxypropan-2-amine
Synonym
1-Hydroxyprop-2-ylamine
Synonym
Identifiers:
SMILES:
CC(N)CO
InChI:
InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3
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 | 75.11 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Alaninol None | Legacy Database |
| cas-boiling-point | 174.5 °C None | Legacy Database |
| cas-canonical-smile | OCC(N)C None | Legacy Database |
| cas-inchi | InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=BKMMTJMQCTUHRP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 96 °C None | Legacy Database |
| cas-name | DL-2-Amino-1-propanol None | Legacy Database |
| wikipedia-name | Alaninol None | Legacy Database |
| LogP | -0.6741000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 75.11099999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 75.068413908 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 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 | 20.735200000000003 | RDKit |