1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-

Basic Information

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CAS Number

31127-80-7

Molecular Formula

C16H20I3N3O7

Molecular Weight

747.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

275°C

Boiling Point

746.085 ℃ at 760 mmHg

Density

2.3±0.1 g/cm3

Flash Point

405.018℃

Refractive Index

1.736

Vapor Pressure

0.0±2.6 mmHg at 25°C

SMILES

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CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I

InChI

InChI=1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25)

InChIKey

BHCBLTRDEYPMFZ-UHFFFAOYSA-N

LogP

-0.37520000000000037

Topological Polar Surface Area

168.22 Å²

Hydrogen Bond Donor/Acceptor

7 / 10

Complexity

546

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

5-Acetamido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
BK2UH2P436
BHCBLTRDEYPMFZ-UHFFFAOYSA-N
N~1~,N~3~-Bis(2,3-dihydroxypropyl)-5-[(1-hydroxyethylidene)amino]-2,4,6-triiodobenzene-1,3-dicarboximidic acid
Isophthalamide, 5-acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
A820731
AC-2654
5-Acetamido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodois
5-acetylamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo isophthalamide
5-Acetylamino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
Iohexol specified impurity A [EP]
Iohexol impurity A
5-Acetamido-N,N`-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
AS-74207
5-(Acetylamino)-N,N inverted exclamation mark -bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
5-Acetamido-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide
SCHEMBL619944
5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
AC7510
5-ACETAMIDO-N,N?-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOISOPHTHALAMIDE
Iodixanol impurity B [EP]
5-acetamido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide;5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
HYDROLYSATE
5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
5-acetylamino-N,N'-bis-(2,3-dihydroxy-propyl)-2,4,6-triiodo-isophthalamide
AB43488
5-acetamido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
5-acetamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzene-dicarboxamide
IODIXANOL IMPURITY B [EP IMPURITY]
5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiono-1,3-benzenedicarboxamide

MDL Number

MFCD08063354

Customs Code

2924299090

FAQ

What is 1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo (CAS: 31127-80-7)?

1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo is a chemical compound with the CAS number 31127-80-7. It is a complex aromatic compound with three iodine atoms attached to the benzene ring and specific amino and acetylamino groups.

What are the main uses of 1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo (CAS: 31127-80-7)?

This compound is primarily used in research and pharmaceutical applications, particularly for developing and studying novel anti-inflammatory and antiviral agents.

Is 1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo (CAS: 31127-80-7) safe?

This compound is generally considered safe under controlled laboratory conditions. However, it should be handled with caution due to its potential for skin and eye irritation. Protective gloves, goggles, and lab coats are recommended. Follow standard laboratory safety protocols.

How should 1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo (CAS: 31127-80-7) be stored?

Store in a cool, dark, and dry place, away from direct sunlight and heat sources. Maintain at a temperature below 25°C and relative humidity below 50%. Use a tightly sealed container to prevent exposure to air and moisture. Avoid contact with incompatible materials, such as strong acids and bases.