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Molecule
1-Aminopropan-2-Ol
CAS: 78-96-6 · C3H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 78-96-6
- Molecular Formula
- C3H9NO
- Molecular Mass
- 75.11 g/mol
Identifiers
CAS Registry Number
78-96-6
SMILES
CC(O)CN
InChI Key
HXKKHQJGJAFBHI-UHFFFAOYSA-N
InChI
InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
Names and Synonyms
- 1-Aminopropan-2-Ol Systematic Name
- 2-Propanol, 1-amino- Synonym
- 1-Amino-2-propanol Synonym
- α-Aminoisopropyl alcohol Synonym
- Isopropanolamine Synonym
- Threamine Synonym
- Monoisopropanolamine Synonym
- 2-Hydroxy-1-propylamine Synonym
- 1-Amino-2-hydroxypropane Synonym
- 2-Hydroxypropylamine Synonym
- 1-Methyl-2-aminoethanol Synonym
- 2-Amino-1-methylethanol Synonym
- 2-Hydroxypropanamine Synonym
- MIPA Synonym
- 2-Hydroxy-1-propanamine Synonym
- β-Aminoisopropanol Synonym
- DL-1-Amino-2-propanol Synonym
- dl-1-Amino-2-propanol Synonym
- (±)-1-Amino-2-propanol Synonym
- (RS)-1-Amino-2-hydroxypropane Synonym
- (RS)-1-amino-2-propanol Synonym
- NSC 3188 Synonym
- (2-Hydroxy-2-methylethyl)amine Synonym
- 1-Aminoisopropanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 75.11 g/mol | CAS Common Chemistry |
| 75.111 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9611 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Aminopropan-2-ol | 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 |
| -0.6741 | RDKit | |
| Molar Refractivity | 20.735200000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 75.068413908 g/mol | RDKit |
| Boiling Point | 159.46 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 75.11 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H9NO.
