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Structure

3-[[2-(acetyloxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile

CAS
68391-42-4
Catalog Number
ACM68391424
Category
Disperse Dyes
Molecular Weight
381.38
Molecular Formula
C19H19N5O4

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Specification

Synonyms
3-[[2-(Acetyloxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile;Disperse Orange 31
What is the molecular formula of the compound in the reference?

The molecular formula is C19H19N5O4.

What are some synonyms for the compound in the reference?

Some synonyms include Disperse Orange 31, 68391-42-4, and 4-(4-Nitrophenylazo)-N-(2-cyanoethyl)-N-(2-acetoxyethyl)aniline.

When was the compound created and last modified?

The compound was created on August 8, 2005, and last modified on December 23, 2023.

What is the IUPAC Name of the compound?

The IUPAC Name is 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate.

What is the InChIKey of the compound?

The InChIKey is QLRDACXDRLGLOC-UHFFFAOYSA-N.

What is the molecular weight of the compound?

The molecular weight is 381.4 g/mol.

How many hydrogen bond acceptor counts does the compound have?

The compound has 8 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 124 Ų.

How many rotatable bond counts does the compound have?

The compound has 9 rotatable bond counts.

What is the formal charge of the compound?

The formal charge of the compound is 0.

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