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2-[2-(2-Propyn-1-Yloxy)Ethoxy]Ethanamine
CAS: 944561-44-8 | C7H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
944561-44-8
Molecular Formula:
C7H13NO2
Molecular Weight:
143.18599999999998 g/mol
Names and Synonyms:
2-[2-(2-Propyn-1-Yloxy)Ethoxy]Ethanamine
2-(2-(Prop-2-yn-1-yloxy)ethoxy)ethan-1-amine
2-(2-Prop-2-ynoxyethoxy)ethanamine
2-(2-(2-Propyn-1-yloxy)ethoxy)ethylamine
2-[2-(2-Propyn-1-yloxy)ethoxy]ethanamine
Ethanamine, 2-[2-(2-propyn-1-yloxy)ethoxy]-
Identifiers:
SMILES:
C#CCOCCOCCN
InChI:
InChI=1S/C7H13NO2/c1-2-4-9-6-7-10-5-3-8/h1H,3-8H2
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 |
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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
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Donors | 1 count | RDKit |
| Hydrogen Bond Acceptors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.3885 | RDKit |
| molecular_mass | 143.19 g/mol | Legacy Database |
| cas-canonical-smile | C#CCOCCOCCN None | Legacy Database |
| cas-inchi | InChI=1S/C7H13NO2/c1-2-4-9-6-7-10-5-3-8/h1H,3-8H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GVHLQHHQXWSDDM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-[2-(2-Propyn-1-yloxy)ethoxy]ethanamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.525400000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.18599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.094628656 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
