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3-Amino-1-Propanol
CAS: 156-87-6 | C3H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
156-87-6
Molecular Formula:
C3H9NO
Molecular Weight:
75.11099999999999 g/mol
Names and Synonyms:
3-Amino-1-Propanol
Common Name
3-Aminopropan-1-ol
Synonym
3-Hydroxypropan-1-amine
Synonym
N-(3-Hydroxypropyl)amine
Synonym
NSC 7766
Synonym
3-Hydroxy-1-aminopropane
Synonym
1,3-Propanolamine
Synonym
γ-Hydroxy-1-propylamine
Synonym
3-Hydroxy-1-propylamine
Synonym
1-Amino-3-hydroxypropane
Synonym
3-Propanolamine
Synonym
1-Amino-3-propanol
Synonym
γ-Aminopropanol
Synonym
3-Aminopropyl alcohol
Synonym
Propanolamine
Synonym
3-Hydroxypropylamine
Synonym
3-Aminopropanol
Synonym
β-Alaninol
Synonym
3-Amino-1-propanol
Synonym
1-Propanol, 3-amino-
Synonym
Identifiers:
SMILES:
NCCCO
InChI:
InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
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 |
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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 | 0.98 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/3-Amino-1-propanol None | Legacy Database |
| cas-boiling-point | 187-188 °C @ Press: 756 Torr None | Legacy Database |
| cas-canonical-smile | OCCCN None | Legacy Database |
| cas-density | 0.9824 g/cm3 @ Temp: 26 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=WUGQZFFCHPXWKQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 12.4 °C None | Legacy Database |
| cas-name | 3-Amino-1-propanol None | Legacy Database |
| wikipedia-name | 3-Amino-1-propanol None | Legacy Database |
| LogP | -0.6724999999999999 | 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 | 2 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 | 20.757199999999997 | RDKit |