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1-Aminopropan-2-Ol
CAS: 78-96-6 | C3H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-96-6
Molecular Formula:
C3H9NO
Molecular Weight:
75.111 g/mol
Names and Synonyms:
1-Aminopropan-2-Ol
Common Name
1-Aminoisopropanol
Synonym
(2-Hydroxy-2-methylethyl)amine
Synonym
NSC 3188
Synonym
(RS)-1-amino-2-propanol
Synonym
(RS)-1-Amino-2-hydroxypropane
Synonym
(±)-1-Amino-2-propanol
Synonym
dl-1-Amino-2-propanol
Synonym
DL-1-Amino-2-propanol
Synonym
β-Aminoisopropanol
Synonym
2-Hydroxy-1-propanamine
Synonym
MIPA
Synonym
2-Hydroxypropanamine
Synonym
2-Amino-1-methylethanol
Synonym
1-Methyl-2-aminoethanol
Synonym
2-Hydroxypropylamine
Synonym
1-Amino-2-hydroxypropane
Synonym
2-Hydroxy-1-propylamine
Synonym
Monoisopropanolamine
Synonym
Threamine
Synonym
Isopropanolamine
Synonym
α-Aminoisopropyl alcohol
Synonym
1-Amino-2-propanol
Synonym
2-Propanol, 1-amino-
Synonym
Identifiers:
SMILES:
CC(O)CN
InChI:
InChI=1S/C3H9NO/c1-3(5)2-4/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 |
| density | 0.96 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1-Aminopropan-2-ol None | Legacy Database |
| cas-boiling-point | 159.46 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | OC(C)CN None | Legacy Database |
| cas-density | 0.9611 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HXKKHQJGJAFBHI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 1.74 °C None | Legacy Database |
| cas-name | (±)-1-Amino-2-propanol None | Legacy Database |
| wikipedia-name | 1-Aminopropan-2-ol None | Legacy Database |
| LogP | -0.6741000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 75.111 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 |