Back to Search
Molecule
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
Identifiers
CAS Registry Number
944561-44-8
SMILES
C#CCOCCOCCN
InChI Key
GVHLQHHQXWSDDM-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c1-2-4-9-6-7-10-5-3-8/h1H,3-8H2
Names and Synonyms
- 2-[2-(2-Propyn-1-Yloxy)Ethoxy]Ethanamine Systematic Name
- Ethanamine, 2-[2-(2-propyn-1-yloxy)ethoxy]- Synonym
- 2-[2-(2-Propyn-1-yloxy)ethoxy]ethanamine Synonym
- 2-(2-(2-Propyn-1-yloxy)ethoxy)ethylamine Synonym
- 2-(2-Prop-2-ynoxyethoxy)ethanamine Synonym
- 2-(2-(Prop-2-yn-1-yloxy)ethoxy)ethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.19 g/mol | CAS Common Chemistry |
| 143.18599999999998 g/mol | RDKit | |
| 143.186 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 |
| 44.48 Ų | RDKit | |
| LogP | -0.3885 | RDKit |
| Molar Refractivity | 39.525400000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 143.094628656 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
Convert
Quick conversion
MW = 143.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H13NO2.
2-Butenoic acid, 3-amino-, 1-methylethyl ester
CAS 14205-46-0
Methyl (3R)-3-Piperidinecarboxylate
CAS 164323-85-7
Ethyl (2E)-3-(Dimethylamino)-2-Propenoate
CAS 1117-37-9
1,4-Dioxa-8-Azaspiro[4.5]Decane
CAS 177-11-7
4-Aminocyclohexanecarboxylic Acid
CAS 1776-53-0
3,3-Diethoxypropionitrile
CAS 2032-34-0
