Back to Search
Iminodiacetic Acid
CAS: 142-73-4 | C4H7NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
142-73-4
Molecular Formula:
C4H7NO4
Molecular Mass:
133.10 g/mol
Names and Synonyms:
Iminodiacetic Acid
Glycine, N-(carboxymethyl)-
Acetic acid, iminodi-
N-(Carboxymethyl)glycine
Aminodiacetic acid
Diglycine
IDA
Iminobis(acetic acid)
Iminodiacetic acid
Iminodiethanoic acid
Acetic acid, 2,2′-iminobis-
Diglycin
Diglycocoll
IDA (chelating agent)
α-Iminodiacetic acid
IMDA
((Carboxymethyl)amino)acetic acid
NSC 18467
2,2′-Azanediyldiacetic acid
2-[(Carboxymethyl)amino]acetic acid
2-(Carboxymethylamino)acetic acid
Identifiers:
SMILES:
O=C(O)CNCC(=O)O
InChI:
InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
Key Properties
Boiling Point
126-127 °C @ Press: 13.5 Torr
CAS Common Chemistry
Melting Point
247.5 °C
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 | 133.10 g/mol | CAS Common Chemistry |
| 133.103 g/mol | RDKit | |
| 133.037507704 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iminodiacetic_acid | CAS Common Chemistry |
| Boiling Point | 126-127 °C @ Press: 13.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CNCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=NBZBKCUXIYYUSX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 247.5 °C | CAS Common Chemistry |
| Name | Iminodiacetic acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 86.63000000000001 Ų | RDKit |
| LogP | -1.2548 | RDKit |
| Molar Refractivity | 28.141299999999994 | RDKit |
