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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 Mass:
143.19 g/mol
Names and Synonyms:
2-[2-(2-Propyn-1-Yloxy)Ethoxy]Ethanamine
Ethanamine, 2-[2-(2-propyn-1-yloxy)ethoxy]-
2-[2-(2-Propyn-1-yloxy)ethoxy]ethanamine
2-(2-(2-Propyn-1-yloxy)ethoxy)ethylamine
2-(2-Prop-2-ynoxyethoxy)ethanamine
2-(2-(Prop-2-yn-1-yloxy)ethoxy)ethan-1-amine
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 |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.19 g/mol | CAS Common Chemistry |
| 143.18599999999998 g/mol | RDKit | |
| 143.094628656 g/mol | RDKit | |
| Canonical SMILES | C#CCOCCOCCN | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO2/c1-2-4-9-6-7-10-5-3-8/h1H,3-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GVHLQHHQXWSDDM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[2-(2-Propyn-1-yloxy)ethoxy]ethanamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| LogP | -0.3885 | RDKit |
| Molar Refractivity | 39.525400000000005 | RDKit |
