CAS
904815-90-3 Purity
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904815-90-3 Purity
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2-(4-tert-Butoxycarbonylamino-butylamino)-nicotinic acid
CAS
904816-11-1
Catalog Number
ACM904816111
Category
Other Products
Molecular Weight
309.36
Molecular Formula
C15H23N3O4
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Specification
Synonyms
2-(4-TERT-BUTOXYCARBONYLAMINO-BUTYLAMINO)-NICOTINIC ACID
What is the molecular formula of the compound?
The molecular formula of the compound is C15H23N3O4.
When was the compound created and modified?
The compound was created on 2005-07-19 and modified on 2023-12-30.
What is the molecular weight of the compound?
The molecular weight of the compound is 309.36 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]pyridine-3-carboxylic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)18-9-5-4-8-16-12-11(13(19)20)7-6-10-17-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)(H,18,21)(H,19,20).
What is the InChIKey of the compound?
The InChIKey of the compound is ZVDGSWORVIILDO-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.7.
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.
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904816-06-4 Purity
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![2-(4-Chloro-phenyl)-1,3-diaza-spiro[4.4]non-1-en-4-one](https://resource.alfa-chemistry.com/structure/904816-22-4.gif)
