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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
Identifiers
CAS Registry Number
156-87-6
SMILES
NCCCO
InChI Key
WUGQZFFCHPXWKQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
Names and Synonyms
- 3-Amino-1-Propanol Systematic Name
- 1-Propanol, 3-amino- Synonym
- 3-Amino-1-propanol Synonym
- β-Alaninol Synonym
- 3-Aminopropanol Synonym
- 3-Hydroxypropylamine Synonym
- Propanolamine Synonym
- 3-Aminopropyl alcohol Synonym
- γ-Aminopropanol Synonym
- 1-Amino-3-propanol Synonym
- 3-Propanolamine Synonym
- 1-Amino-3-hydroxypropane Synonym
- 3-Hydroxy-1-propylamine Synonym
- γ-Hydroxy-1-propylamine Synonym
- 1,3-Propanolamine Synonym
- 3-Hydroxy-1-aminopropane Synonym
- NSC 7766 Synonym
- N-(3-Hydroxypropyl)amine Synonym
- 3-Hydroxypropan-1-amine Synonym
- 3-Aminopropan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 75.11 g/mol | CAS Common Chemistry |
| 75.11099999999999 g/mol | RDKit | |
| 75.111 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9824 g/cm3 @ 26 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3-Amino-1-propanol | 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 |
| -0.6725 | RDKit | |
| Molar Refractivity | 20.757199999999997 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 | 187-188 °C @ 756 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
Related
Related molecules
Other compounds with formula C3H9NO.
