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Molecule
N-Methyliminodiacetic Acid
CAS: 4408-64-4 · C5H9NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4408-64-4
- Molecular Formula
- C5H9NO4
- Molecular Mass
- 147.13 g/mol
Identifiers
CAS Registry Number
4408-64-4
SMILES
CN(CC(=O)O)CC(=O)O
InChI Key
XWSGEVNYFYKXCP-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
Names and Synonyms
- N-Methyliminodiacetic Acid Synonym
- Glycine, N-(carboxymethyl)-N-methyl- Synonym
- Acetic acid, (methylimino)di- Synonym
- N-(Carboxymethyl)-N-methylglycine Synonym
- MIDA Synonym
- N-Methyliminodiacetic acid Synonym
- Methylimidodiacetic acid Synonym
- (Methylimino)diacetic acid Synonym
- N-Methylaminodiacetic acid Synonym
- NSC 11773 Synonym
- 2,2′-Methyliminodiacetic acid Synonym
- 2,2′-(Methylazanediyl)diacetic acid Synonym
- (Carboxymethyl-methyl-amino)-acetic acid Synonym
- 2-[Carboxymethyl(methyl)amino]acetic acid Synonym
- 2-[(Carboxymethyl)(methyl)amino]acetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.13 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CN(C)CC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=XWSGEVNYFYKXCP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 216-219 °C (decomp) | CAS Common Chemistry |
| Name | N-Methyliminodiacetic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.84 Ų | RDKit |
| 77.61 Ų | chempirical lib | |
| LogP | -0.9125999999999994 | RDKit |
| -0.9126 | RDKit | |
| Molar Refractivity | 32.76859999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 147.053157768 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 147.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H9NO4.
