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Home > Encyclopedia > 2-[[3-[4-[(2-bromoacetyl)amino]phenyl]-2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]propyl]-[(2-hydroxyphenyl)methyl]amino]acetic acid

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

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

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

structure
  • CAS No:

    126926-47-4

  • Formula:

    C29H32BrN3O7

  • Chemical Name:

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

  • Categories:

    Organic Chemistry  >  Amides

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

614.48400

613.14236

Characteristics

150.64000

3.58890

1.511g/cm3

835.6ºC

459.2ºC

1.679

1.27E-29mmHg at 25°C

Drug Information

1-(4-bromoacetamidobenzyl)-N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid

Computed Properties

Molecular Weight:614.5
XLogP3:-0.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:15
Exact Mass:613.14236
Monoisotopic Mass:613.14236
Topological Polar Surface Area:151
Heavy Atom Count:40
Complexity:811
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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