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2-[4-(methylamino)butylamino]ethylsulfanylphosphonic acid;tetrahydrate

2-[4-(methylamino)butylamino]ethylsulfanylphosphonic acid;tetrahydrate structure

CAS No:
63980-92-7
Formula:
C7H27N2O7PS
Chemical Name:
2-[4-(methylamino)butylamino]ethylsulfanylphosphonic acid;tetrahydrate
Synonyms:
63980-92-7;S-2-((4-Methylaminobutyl)amino)ethyl dihydrogen phosphorothioate tetrahydrate;DTXSID10981593;Ethanethiol, 2-((4-methylaminobutyl)amino)-, dihydrogen phosphate (ester) tetrahydrate;Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate;Phosphorothioic acid, S-ester with 2-((4-methylaminobutyl)amino)ethanethiol, tetrahydrate;S-(2-{[4-(Methylamino)butyl]amino}ethyl) dihydrogen phosphorothioate--water (1/4)

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2-[4-(methylamino)butylamino]ethylsulfanylphosphonic acid;tetrahydrate Basic Attributes

Molecular Weight：

314.34 g/mol

Exact Mass：

314.12765938 g/mol

Characteristics

PSA：

111 Å²

Computed Properties

Molecular Weight:314.34
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:314.12765938
Monoisotopic Mass:314.12765938
Topological Polar Surface Area:111
Heavy Atom Count:18
Complexity:176
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes

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Guide of 2-[4-(methylamino)butylamino]ethylsulfanylphosphonic acid;tetrahydrate

Basic Attributes
Characteristics
Computed Properties

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