CAS
91596-61-1 Purity
96%
91596-61-1 Purity
96%
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2-(5-Bromo-2-pyridylazo)-5-[N-n-propyl-N-(3-sulfopropyl)amino]phenol disodium dihydrate (5-Br-PAPS)
CAS
91599-24-5
Catalog Number
ACM91599245
Category
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What is the molecular formula of 2-(5-Bromo-2-pyridylazo)-5-[N-n-propyl-N-(3-sulfopropyl)amino]phenol disodium dihydrate?
The molecular formula is C17H21BrN4O4S.
When was the compound created and last modified?
The compound was created on 2005-08-08 and last modified on 2023-12-30.
What is the molecular weight of 2-(5-Bromo-2-pyridylazo)-5-[N-n-propyl-N-(3-sulfopropyl)amino]phenol disodium dihydrate?
The molecular weight is 457.3 g/mol.
What is the IUPAC name of 2-(5-Bromo-2-pyridylazo)-5-[N-n-propyl-N-(3-sulfopropyl)amino]phenol disodium dihydrate?
The IUPAC name is 3-[4-[(5-bromopyridin-2-yl)diazenyl]-3-hydroxy-N-propylanilino]propane-1-sulfonic acid.
What is the InChIKey of the compound?
The InChIKey is BZRWWAYVITZYRZ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor 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.
Is the compound Canonicalized?
Yes, the compound is Canonicalized.
What is the XLogP3 value of the compound?
The XLogP3 value is 3.6.
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