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Molecule
3-Ethoxypropylamine
CAS: 6291-85-6 · C5H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6291-85-6
- Molecular Formula
- C5H13NO
- Molecular Mass
- 103.17 g/mol
Identifiers
CAS Registry Number
6291-85-6
SMILES
CCOCCCN
InChI Key
SOYBEXQHNURCGE-UHFFFAOYSA-N
InChI
InChI=1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3
Names and Synonyms
- 3-Ethoxypropylamine Synonym
- 1-Propanamine, 3-ethoxy- Synonym
- Propylamine, 3-ethoxy- Synonym
- 3-Ethoxy-1-propanamine Synonym
- 3-Ethoxypropylamine Synonym
- 3-Ethoxy-1-propylamine Synonym
- Propanolamine ethyl ether Synonym
- 3-Ethoxypropanamine Synonym
- NSC 8162 Synonym
- [3-(Ethyloxy)propyl]amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.17 g/mol | CAS Common Chemistry |
| 103.16500000000002 g/mol | RDKit | |
| 103.165 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8613 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O(CC)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SOYBEXQHNURCGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Ethoxypropylamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 0.37170000000000003 | RDKit |
| 0.3717 | RDKit | |
| Molar Refractivity | 30.16439999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 103.099714036 g/mol | RDKit |
| Boiling Point | 134-136 °C @ 732 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
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MW = 103.17 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13NO.
