Back to Search
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 Mass:
118.14 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)
Key Properties
Melting Point
159-161 °C @ Solvent: Methanol
CAS Common Chemistry
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 | 118.14 g/mol | CAS Common Chemistry |
| 118.13599999999998 g/mol | RDKit | |
| 118.07422756 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CNCCN | CAS Common Chemistry |
| InChI | InChI=1S/C4H10N2O2/c5-1-2-6-3-4(7)8/h6H,1-3,5H2,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=PIINGYXNCHTJTF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 159-161 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | N-(2-Aminoethyl)glycine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 75.35 Ų | RDKit |
| LogP | -1.3806999999999996 | RDKit |
| Molar Refractivity | 29.559899999999995 | RDKit |
