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4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline;hydrate;dihydrochloride

4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline;hydrate;dihydrochloride structure

CAS No:
63716-99-4
Formula:
C38H48Cl6N4OS2
Chemical Name:
4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline;hydrate;dihydrochloride
Synonyms:
1-Pyrrolidinepropanamine, N-(4-chloro-2-((4-chlorophenyl)thio)phenyl)-, monohydrochloride, hemihydrate;63716-99-4;USAF AB-31;2-(3-Pyrrolidinopropylamino)-4',5-dichloro-(1-diphenylsulfide) monohydrochloride hemihydrate;DTXSID80213136

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4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline;hydrate;dihydrochloride Basic Attributes

Molecular Weight：

853.7 g/mol

Exact Mass：

852.137121 g/mol

DSSTox ID：

DTXSID80213136

Characteristics

PSA：

82.1 Å²

Computed Properties

Molecular Weight:853.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:14
Exact Mass:852.137121
Monoisotopic Mass:850.140071
Topological Polar Surface Area:82.1
Heavy Atom Count:51
Complexity:357
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes

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Guide of 4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)aniline;hydrate;dihydrochloride

Basic Attributes
Characteristics
Computed Properties

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