CAS
912451-60-6 Purity
97+%
912451-60-6 Purity
97+%
![4-[(1S)-(4-Dimethylamino)-1-(4-fluotophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid](https://resource.alfa-chemistry.com/structure/912452-31-4.gif)
![4-[(1S)-(4-Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile 1/2(+)-di-1,4-toluoyl-d-tartaric acid](https://resource.alfa-chemistry.com/structure/91245-31-4.gif)
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1H-Imidazole,2-butyl-4,5-dimethyl-
CAS
912455-27-7
Catalog Number
ACM912455277
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C9H16N2.
What is the molecular weight of the compound?
The molecular weight of the compound is 152.24 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-butyl-4,5-dimethyl-1H-imidazole.
What is the InChI key of the compound?
The InChI key of the compound is JYBLQBKTEAJZGV-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCCCC1=NC(=C(N1)C).
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.6.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 1 hydrogen bond acceptor count.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 28.7 Ų.
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