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Molecule
Propylamine
CAS: 107-10-8 · C3H9N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 107-10-8
- Molecular Formula
- C3H9N
- Molecular Mass
- 59.11 g/mol
Identifiers
CAS Registry Number
107-10-8
SMILES
CCCN
InChI Key
WGYKZJWCGVVSQN-UHFFFAOYSA-N
InChI
InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 59.11 g/mol | CAS Common Chemistry |
| 59.11199999999999 g/mol | RDKit | |
| 59.112 g/mol | RDKit | |
| Density | 0.72 g/cm³ | CAS Common Chemistry |
| 0.719 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propylamine | CAS Common Chemistry |
| Boiling Point | 48-49 °C | CAS Common Chemistry |
| Canonical SMILES | NCCC | CAS Common Chemistry |
| InChI | InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WGYKZJWCGVVSQN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -83 °C | CAS Common Chemistry |
| Name | Propylamine | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.3551000000000001 | RDKit |
| 0.3551 | RDKit | |
| Molar Refractivity | 19.345400000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 59.073499288 g/mol | RDKit |
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 = 59.11 g/mol; density = 0.720 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H9N.
