N,N'-((3-Oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene)methylene))bis(N-(carboxymethyl)glycine)

Base Information

• Chemical Name: N,N'-((3-Oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene)methylene))bis(N-(carboxymethyl)glycine)
• CAS No.: 1913-93-5
• Molecular Formula: C38H44 N2 O12
• Molecular Weight: 720.77
• Hs Code.: 32041900
• Mol file: 1913-93-5.mol

Synonyms:EINECS 217-627-2;N,N'-((3-Oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene)methylene))bis(N-(carboxymethyl)glycine);SCHEMBL4950402;AMY22428

Chemical Property of N,N'-((3-Oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene)methylene))bis(N-(carboxymethyl)glycine)

Chemical Property:

• Appearance/Colour: Beige solid.
• Melting Point: 191 ºC
• Boiling Point: 886.7°Cat760mmHg
• PKA: 1.44±0.10(Predicted)
• Flash Point: 490°C
• PSA: 222.44000
• Density: 1.385g/cm³
• LogP: 4.36610
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 14
• Exact Mass: 720.28942484
• Heavy Atom Count: 52
• Complexity: 1220

Purity/Quality:

98% ^*data from raw suppliers

Thymolphthalein Complexon ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C(=C1C[NH+](CC(=O)O)CC(=O)[O-])O)C(C)C)C2(C3=CC=CC=C3C(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)C[NH+](CC(=O)O)CC(=O)[O-])C