Basic information
- CAS
30042-63-8- Standard SMILES
Cc1cccc(N(CC(=O)O)CC(=O)O)c1- InChIKey
ZHYMBNLOYMJTPR-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- 2,2'-[(3-Methylphenyl)imino]diacetic acid
- IUPAC
- 2-[N-(carboxymethyl)-3-methylanilino]acetic acid
- English name
- CHEMBRDG-BB 5161562
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
30042-63-82,2'-(m-tolylazanediyl)diacetic acid2,2'-[(3-methylphenyl)imino]diacetic acid2-[(carboxymethyl)(3-methylphenyl)amino]acetic acid2-[N-(carboxymethyl)-3-methylanilino]acetic acid2,2'-[(3-Methylphenyl)azanediyl]diacetic acidSMR000184631starbld0028251ChemDiv3_000116CBKinase1_000035CBKinase1_012435Cambridge id 5161562
Show more names
CHEMBRDG-BB 5161562(CARBOXYMETHYL-M-TOLYL-AMINO)-ACETIC ACIDGlycine, N-(carboxymethyl)-N-(3-methylphenyl)-
Oprea1_226046CBDivE_003763MLS000583360SCHEMBL2808762CHEMBL1570713DTXSID20354158HMS1473F06HMS2510I12
Database identifiers
- CAS
30042-63-8- PubChem CID
- 765166
- DTXSID
DTXSID20354158- ChEMBL
CHEMBL1570713- EC Number
- 104-702-9
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 469.5 · 469.5±35.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- 3.77 · 3.77±0.10(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
CHEMBRDG-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…