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2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid

2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid structure

CAS No:
133804-52-1
Formula:
C14H22N2O3S
Chemical Name:
2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid
Synonyms:
2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid;SCHEMBL2856103;CTK4B8804;DTXSID30431909;ZINC1551739;2-(1-homopiperazinyl)-5-n-propylbenzenesulfonic acid;2-(1,4-Diazepan-1-yl)-5-propylbenzene-1-sulfonic acid;2-(1,4-diazepan-4-ium-1-yl)-5-propylbenzenesulfonate

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2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid Basic Attributes

Molecular Weight：

298.401

Exact Mass：

298.135

DSSTox ID：

DTXSID30431909

Characteristics

PSA：

XLogP3：

-0.4

Computed Properties

Molecular Weight:298.40
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:298.13511374
Monoisotopic Mass:298.13511374
Topological Polar Surface Area:78
Heavy Atom Count:20
Complexity:394
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid

Basic Attributes
Characteristics
Computed Properties
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2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid

SDS

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