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Home > Encyclopedia > 3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid

3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid

3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid structure

3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid 

structure
  • CAS No:

    111453-32-8

  • Formula:

    C11H11I3N2O5

  • Chemical Name:

    3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid

  • Synonyms:

    Benzoic acid,3-amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodo-;3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid;5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide acid;3-Amino-5-((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodobenzoic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

White Solid

3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid Basic Attributes

631.92885

631.93

601-093-6

DTXSID40473936

Characteristics

133

0.7

2.641±0.06 g/cm3(Predicted)

599.1±50.0 °C(Predicted)

316.102ºC

1.798

0mmHg at 25°C

Safety Information

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid Use and Manufacturing

Intermediate in the preparation of Iopromide.

Computed Properties

Molecular Weight:631.93
XLogP3:0.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:631.7802
Monoisotopic Mass:631.7802
Topological Polar Surface Area:133
Heavy Atom Count:21
Complexity:400
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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