CAS
90066-11-8 Purity
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90066-11-8 Purity
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1-[2-(Diethylamino)ethyl]-8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CAS
90069-19-5
Catalog Number
ACM90069195
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C22H28F2N2.
What is the IUPAC name of the compound?
The IUPAC name of the compound is N,N-diethyl-2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanamine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C22H28F2N2/c1-3-25(4-2)14-15-26-13-5-6-20(17-7-9-18(23)10-8-17)21-12-11-19(24)16-22(21)26/h7-12,16,20H,3-6,13-15H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is DOTHZCSFEPFCMS-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCN(CC)CCN1CCCC(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)F.
What is the molecular weight of the compound?
The molecular weight of the compound is 358.5 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 5.2.
How many hydrogen bond donor count does the compound have?
The compound has 0 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 4 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 6 rotatable bond count.
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