3-[2-(4-aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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![3-[2-(4-aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/00870fda988c4f3086a65548dfcc528b.png "3-[2-(4-aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one")
3-[2-(4-aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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CAS No:
93801-18-4
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Formula:
C31H35FN4O2
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Chemical Name:
3-[2-(4-aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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Synonyms:
[125I]-N-(p-Aminophenethyl)spiroperidol; 3-<2'-(p-aminophenyl)ethyl>-8-<3'-(p-fluorobenzoyl)propyl>-4-oxo-1-phenyl-1,3,8-triazaspiro<4.5>decane; NAPES; N-(4-Aminophenethyl)spiperone; NAPS; N-(p-Aminophenethyl)spiroperidol; N-(p-Aminophenethyl)spiperone; N-(4-Aminophenethyl)spiroperidol;Expand
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CAS No:
Description
3-[2-(4-aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is an aromatic ketone.
3-[2-(4-aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one Basic Attributes
514.63400
514.27440453 g/mol
DTXSID70239663
Characteristics
69.88000
5.27640
Off-white to pale-yellow solid
1.27g/cm3
106-108ºC
736.5ºC
399.2ºC
1.653
-20ºC Freezer
Computed Properties
Molecular Weight:514.6
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:514.27440453
Monoisotopic Mass:514.27440453
Topological Polar Surface Area:69.9
Heavy Atom Count:38
Complexity:779
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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