CAS
915781-01-0 Purity
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915781-01-0 Purity
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2-(Benzylamino)-1-(4-nitrophenyl)ethan-1-ol
CAS
91579-11-2
Catalog Number
ACM91579112
Category
Other Products
Molecular Weight
272.3
Molecular Formula
C15H16N2O3
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Specification
Synonyms
2-(BENZYLAMINO)-1-(4-NITROPHENYL)ETHAN-1-OL;2-BENZYLAMINO-1-(4-NITROPHENYL)ETHANOL
What is the molecular formula of 2-(benzylamino)-1-(4-nitrophenyl)ethanol?
The molecular formula is C15H16N2O3.
When was the compound first created and modified?
The compound was created on July 19, 2005, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 2-(benzylamino)-1-(4-nitrophenyl)ethanol.
What is the InChI of the compound?
The InChI is InChI=1S/C15H16N2O3/c18-15(11-16-10-12-4-2-1-3-5-12)13-6-8-14(9-7-13)17(19)20/h1-9,15-16,18H,10-11H2.
What is the InChIKey of the compound?
The InChIKey is JDCPMOWSBPLTHF-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 78.1 Ų.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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915781-03-2 Purity
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