CAS
945651-06-9 Purity
96%
945651-06-9 Purity
96%
![2-[2-[2-(Diethylazaniumyl)ethylsulfanyl]pyrimidin-4-yl]sulfanylethyl-diethylazanium dichloride](https://resource.alfa-chemistry.com/structure/94565-18-1.gif)
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1H-Indole-3-carboxylicacid,6-amino-2-phenyl-,ethyl ester
CAS
945655-38-9
Catalog Number
ACM945655389
Category
Other Products
Molecular Formula
C17H16N2O2
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What is the molecular formula of the compound?
The molecular formula of the compound is C17H16N2O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 280.32 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is ethyl 6-amino-2-phenyl-1H-indole-3-carboxylate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C17H16N2O2/c1-2-21-17(20)15-13-9-8-12(18)10-14(13)19-16(15)11-6-4-3-5-7-11/h3-10,19H,2,18H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is OYXBHEIHHDRPMU-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCOC(=O)C1=C(NC2=C1C=CC(=C2)N)C3=CC=CC=C3.
What is the CAS number of the compound?
The CAS number of the compound is 945655-38-9.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.2.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
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