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11-[2-[(2-methyl-2-sulfanylpropanoyl)amino]ethyl-(2-methyl-2-sulfanylpropyl)amino]undecanoic acid,dihydrochloride

11-[2-[(2-methyl-2-sulfanylpropanoyl)amino]ethyl-(2-methyl-2-sulfanylpropyl)amino]undecanoic acid,dihydrochloride structure

CAS No:
108736-69-2
Formula:
C21H44Cl2N2O3S2
Chemical Name:
11-[2-[(2-methyl-2-sulfanylpropanoyl)amino]ethyl-(2-methyl-2-sulfanylpropyl)amino]undecanoic acid,dihydrochloride
Synonyms:
11-((2-Mercapto-2-methylpropyl)(2-((2-mercapto-2-methylpropoyl)amino)ethyl)amino)undecanoic acid dihydrochloride; N-(11-Undecanoic acid)-N,N'-bis(2-methyl-2-mercaptopropyl)ethylenediamine; 11-[2-[(2-methyl-2-sulfanylpropanoyl)amino]ethyl-(2-methyl-2-sulfanylpropyl)amino]undecanoic acid dihydrochloride; Undecanoic acid,11-((2-mercapto-2-methylpropyl)(2-((2-mercapto-2-methylpropoyl)amino)ethyl)amino)-,dihydrochloride; Dadt-FA;

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11-[2-[(2-methyl-2-sulfanylpropanoyl)amino]ethyl-(2-methyl-2-sulfanylpropyl)amino]undecanoic acid,dihydrochloride Basic Attributes

Molecular Weight：

507.62200

Exact Mass：

506.2170410 g/mol

DSSTox ID：

DTXSID50148724

Characteristics

PSA：

150.73000

XLogP3：

6.86120

Boiling Point：

596ºC at 760mmHg

Flash Point：

314.3ºC

Vapor Pressure：

9.53E-16mmHg at 25°C

Drug Information

MeSH Entry Terms：

DADT-FA

Computed Properties

Molecular Weight:507.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:17
Exact Mass:506.2170410
Monoisotopic Mass:506.2170410
Topological Polar Surface Area:71.6
Heavy Atom Count:30
Complexity:457
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 11-[2-[(2-methyl-2-sulfanylpropanoyl)amino]ethyl-(2-methyl-2-sulfanylpropyl)amino]undecanoic acid,dihydrochloride

Basic Attributes
Characteristics
Drug Information
Computed Properties
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