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Propylamine
CAS: 107-10-8 | C3H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-10-8
Molecular Formula:
C3H9N
Molecular Weight:
59.11199999999999 g/mol
Names and Synonyms:
Propylamine
Synonym
1-Propanamine
Synonym
Propylamine
Synonym
1-Aminopropane
Synonym
Mono-n-propylamine
Synonym
n-Propylamine
Synonym
1-Propylamine
Synonym
Monopropylamine
Synonym
NSC 7490
Synonym
Propan-1-ylamine
Synonym
(n-Propan-1-yl)amine
Synonym
3-Aminopropane
Synonym
Propan-1-amine
Synonym
Identifiers:
SMILES:
CCCN
InChI:
InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 59.11199999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 59.073499288 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.3551000000000001 | RDKit |
| density | 0.72 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Propylamine None | Legacy Database |
| cas-boiling-point | 48-49 °C None | Legacy Database |
| cas-canonical-smile | NCCC None | Legacy Database |
| cas-density | 0.719 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=WGYKZJWCGVVSQN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -83 °C None | Legacy Database |
| cas-name | Propylamine None | Legacy Database |
| wikipedia-name | Propylamine None | Legacy Database |
| molecular_mass | 59.11 g/mol | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.345400000000005 | RDKit |