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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 Mass:
75.11 g/mol
Names and Synonyms:
1-Aminopropan-2-Ol
2-Propanol, 1-amino-
1-Amino-2-propanol
α-Aminoisopropyl alcohol
Isopropanolamine
Threamine
Monoisopropanolamine
2-Hydroxy-1-propylamine
1-Amino-2-hydroxypropane
2-Hydroxypropylamine
1-Methyl-2-aminoethanol
2-Amino-1-methylethanol
2-Hydroxypropanamine
MIPA
2-Hydroxy-1-propanamine
β-Aminoisopropanol
DL-1-Amino-2-propanol
dl-1-Amino-2-propanol
(±)-1-Amino-2-propanol
(RS)-1-Amino-2-hydroxypropane
(RS)-1-amino-2-propanol
NSC 3188
(2-Hydroxy-2-methylethyl)amine
1-Aminoisopropanol
Identifiers:
SMILES:
CC(O)CN
InChI:
InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
Key Properties
Boiling Point
159.46 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
1.74 °C
CAS Common Chemistry
Density
0.96 g/cm³
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 | 75.11 g/mol | CAS Common Chemistry |
| 75.111 g/mol | RDKit | |
| 75.068413908 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9611 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Aminopropan-2-ol | CAS Common Chemistry |
| Boiling Point | 159.46 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | OC(C)CN | CAS Common Chemistry |
| InChI | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HXKKHQJGJAFBHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1.74 °C | CAS Common Chemistry |
| Name | (±)-1-Amino-2-propanol | CAS Common Chemistry |
| 1-Aminopropan-2-ol | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | -0.6741000000000001 | RDKit |
| Molar Refractivity | 20.735200000000003 | RDKit |
