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7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione,hydrochloride

7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione,hydrochloride structure

CAS No:
105522-62-1
Formula:
C18H22ClN7O5
Chemical Name:
7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione,hydrochloride
Synonyms:
7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione hydrochloride; 1H-Purine-2,6-dione,3,7-dihydro-7-(2-hydroxy-2-(4-nitrophenyl)ethyl)-3-methyl-8-(1-piperazinyl)-,monohydrochloride;

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7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione,hydrochloride Basic Attributes

Molecular Weight：

451.86400

Exact Mass：

451.1370945

Characteristics

PSA：

154.26000

XLogP3：

1.60600

Boiling Point：

730ºC

Flash Point：

395.3ºC

Vapor Pressure：

2.26E-22mmHg at 25°C

Computed Properties

Molecular Weight:451.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:451.1370945
Monoisotopic Mass:451.1370945
Topological Polar Surface Area:149
Heavy Atom Count:31
Complexity:674
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione,hydrochloride

Basic Attributes
Characteristics
Computed Properties

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