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| Molecular Formula | C10H16N2O8 |
|---|---|
| Chemical Name | Edetic acid |
Properties
| Molecular Weight (g/mol) | 292.24 g/mol |
|---|---|
| SMILES Notation | OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O |
| InChI String | InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) |
| InChI Key | MXLQWHPQFFWNCI-UHFFFAOYSA-N |
| IUPAC Name | 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid |
| LogP (Partition Coefficient) | -5.9 |
| Exact Mass (g/mol) | 292.0907 |
| Monoisotopic Mass (g/mol) | 292.0907 |
| Topological Polar Surface Area (Ų) | 156 |
| Molecular Complexity | 316 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 20 |
Product 2, C₈H₁₀N₄O₂
Product Code : 11200
CAS Number : 58-08-2
Overview
| Molecular Formula | C11H17NO2 |
|---|---|
| Chemical Name | 91-99-6, M-TOLYLDIETHANOLAMINE |
Properties
| Molecular Weight (g/mol) | 195.26 |
|---|---|
| SMILES Notation | CC1=CC(=CC=C1)N(CCO)CCO |
| InChI String | InChI=1S/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3 |
| InChI Key | VMNDRLYLEVCGAG-UHFFFAOYSA-N |
| IUPAC Name | 2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol |
| LogP (Partition Coefficient) | 1.4 |
| Exact Mass (g/mol) | 195.125928785 |
| Monoisotopic Mass (g/mol) | 195.125928785 |
| Topological Polar Surface Area (Ų) | 43.7 |
| Molecular Complexity | 146 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 14 |
Product 3, C₉H₈O₄
Product Code : 11201
CAS Number : 50-78-2
Overview
| Molecular Formula | C11H17NO2 |
|---|---|
| Chemical Name | 91-99-6, M-TOLYLDIETHANOLAMINE |
Properties
| Molecular Weight (g/mol) | 195.26 |
|---|---|
| SMILES Notation | CC1=CC(=CC=C1)N(CCO)CCO |
| InChI String | InChI=1S/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3 |
| InChI Key | VMNDRLYLEVCGAG-UHFFFAOYSA-N |
| IUPAC Name | 2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol |
| LogP (Partition Coefficient) | 1.4 |
| Exact Mass (g/mol) | 195.125928785 |
| Monoisotopic Mass (g/mol) | 195.125928785 |
| Topological Polar Surface Area (Ų) | 43.7 |
| Molecular Complexity | 146 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 14 |