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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 Mass:
75.11 g/mol
Names and Synonyms:
3-Amino-1-Propanol
1-Propanol, 3-amino-
3-Amino-1-propanol
β-Alaninol
3-Aminopropanol
3-Hydroxypropylamine
Propanolamine
3-Aminopropyl alcohol
γ-Aminopropanol
1-Amino-3-propanol
3-Propanolamine
1-Amino-3-hydroxypropane
3-Hydroxy-1-propylamine
γ-Hydroxy-1-propylamine
1,3-Propanolamine
3-Hydroxy-1-aminopropane
NSC 7766
N-(3-Hydroxypropyl)amine
3-Hydroxypropan-1-amine
3-Aminopropan-1-ol
Identifiers:
SMILES:
NCCCO
InChI:
InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
Key Properties
Boiling Point
187-188 °C @ Press: 756 Torr
CAS Common Chemistry
Melting Point
12.4 °C
CAS Common Chemistry
Density
0.98 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 |
| 75.11099999999999 g/mol | RDKit | |
| 75.068413908 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9824 g/cm3 @ Temp: 26 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3-Amino-1-propanol | CAS Common Chemistry |
| Boiling Point | 187-188 °C @ Press: 756 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WUGQZFFCHPXWKQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 12.4 °C | CAS Common Chemistry |
| Name | 3-Amino-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | -0.6724999999999999 | RDKit |
| Molar Refractivity | 20.757199999999997 | RDKit |
