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1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione,dihydrochloride

1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione,dihydrochloride structure

CAS No:
87798-91-2
Formula:
C21H28Cl4N6O2
Chemical Name:
1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione,dihydrochloride

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1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione,dihydrochloride Basic Attributes

Molecular Weight：

538.29800

Exact Mass：

538.099835

DSSTox ID：

DTXSID40236644

Characteristics

PSA：

68.30000

XLogP3：

3.94980

Boiling Point：

674.9ºC

Flash Point：

362ºC

Computed Properties

Molecular Weight:538.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:538.099835
Monoisotopic Mass:536.102785
Topological Polar Surface Area:64.9
Heavy Atom Count:33
Complexity:662
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione,dihydrochloride

Basic Attributes
Characteristics
Computed Properties

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