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N-(2-Aminoethyl)Glycine
CAS: 24123-14-6 | C4H10N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24123-14-6
Molecular Formula:
C4H10N2O2
Molecular Weight:
118.13599999999998 g/mol
Names and Synonyms:
N-(2-Aminoethyl)Glycine
Glycine, N-(2-aminoethyl)-
N-(2-Aminoethyl)glycine
Ethylenediaminemonoacetic acid
Ethylenediamine-N-acetic acid
3,6-Diazahexanoic acid
N-(β-Aminoethyl)glycine
2-(2-Aminoethylamino)acetic acid
2-(2-Azaniumylethylamino)acetate
Identifiers:
SMILES:
NCCNCC(=O)O
InChI:
InChI=1S/C4H10N2O2/c5-1-2-6-3-4(7)8/h6H,1-3,5H2,(H,7,8)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 118.14 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)CNCCN None | Legacy Database |
| cas-inchi | InChI=1S/C4H10N2O2/c5-1-2-6-3-4(7)8/h6H,1-3,5H2,(H,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=PIINGYXNCHTJTF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 159-161 °C @ Solvent: Methanol None | Legacy Database |
| cas-name | N-(2-Aminoethyl)glycine None | Legacy Database |
| LogP | -1.3806999999999996 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.13599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 118.07422756 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 75.35 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.559899999999995 | RDKit |
