2-[[3-[4-[(2-Bromoacetyl)amino]phenyl]-2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]propyl]-[(2-hydroxyphenyl)methyl]amino]acetic acid

Base Information

• Chemical Name: 2-[[3-[4-[(2-Bromoacetyl)amino]phenyl]-2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]propyl]-[(2-hydroxyphenyl)methyl]amino]acetic acid
• CAS No.: 126926-47-4
• Molecular Formula: C29H32 Br N3 O7
• Molecular Weight: 0
• Mol file: 126926-47-4.mol

Synonyms:1-(4-bromoacetamidobenzyl)-N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid;Br-Phi-HBED;N,N'-bis(2-hydoxybenzyl)-1-(4-bromoacetamidobenzyl)-1,2-ethylenediamine-N,N'-diacetic acid

Chemical Property of 2-[[3-[4-[(2-Bromoacetyl)amino]phenyl]-2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]propyl]-[(2-hydroxyphenyl)methyl]amino]acetic acid

Chemical Property:

• Boiling Point: 835.6°Cat760mmHg
• Flash Point: 459.2°C
• PSA: 150.64000
• Density: 1.511g/cm³
• LogP: 3.58890
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 15
• Exact Mass: 613.14236
• Heavy Atom Count: 40
• Complexity: 811

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CN(CC(CC2=CC=C(C=C2)NC(=O)CBr)N(CC3=CC=CC=C3O)CC(=O)O)CC(=O)O)O

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