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ethyl 1-(3-oxo-4,4-diphenylbutyl)-4-phenylpiperidin-1-ium-4-carboxylate,bromide

ethyl 1-(3-oxo-4,4-diphenylbutyl)-4-phenylpiperidin-1-ium-4-carboxylate,bromide structure

CAS No:
14120-85-5
Formula:
C30H34BrNO3
Chemical Name:
ethyl 1-(3-oxo-4,4-diphenylbutyl)-4-phenylpiperidin-1-ium-4-carboxylate,bromide
Synonyms:
ethyl 1-(3-oxo-4,4-diphenylbutyl)-4-phenylpiperidin-1-ium-4-carboxylate bromide; 1-(4,4-Diphenyl-3-oxobutyl)-4-carbethoxy-4-phenylpiperidine hydrobromide; Isonipecotic acid,1-(4,4-diphenyl-3-oxobutyl)-4-phenyl-,ethyl ester,hydrobromide; 4-Piperidinecarboxylic acid,1-(4,4-diphenyl-3-oxobutyl)-4-phenyl-,ethyl ester,HBr;

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ethyl 1-(3-oxo-4,4-diphenylbutyl)-4-phenylpiperidin-1-ium-4-carboxylate,bromide Basic Attributes

Molecular Weight：

536.50000

Exact Mass：

535.17221 g/mol

Characteristics

PSA：

46.61000

XLogP3：

6.27060

Boiling Point：

573.9ºC

Flash Point：

300.9ºC

Vapor Pressure：

3.54E-13mmHg at 25°C

Computed Properties

Molecular Weight:536.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:535.17221
Monoisotopic Mass:535.17221
Topological Polar Surface Area:47.8
Heavy Atom Count:35
Complexity:617
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of ethyl 1-(3-oxo-4,4-diphenylbutyl)-4-phenylpiperidin-1-ium-4-carboxylate,bromide

Basic Attributes
Characteristics
Computed Properties
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