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2-[2-(octylamino)ethylamino]ethylsulfanylphosphonic acid;dihydrate

2-[2-(octylamino)ethylamino]ethylsulfanylphosphonic acid;dihydrate structure

CAS No:
63980-98-3
Formula:
C12H33N2O5PS
Chemical Name:
2-[2-(octylamino)ethylamino]ethylsulfanylphosphonic acid;dihydrate
Synonyms:
63980-98-3;S-2-((2-Octylaminoethyl)amino)ethyl dihydrogen phosphorothioate dihydrate;DTXSID50981597;Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate;Ethanethiol, 2-((2-octylaminoethyl)amino)-, dihydrogen phosphate (ester) dihydrate;Phosphorothioic acid, S-ester with 2-((2-octylaminoethyl)amino)ethanethiol, dihydrate;S-(2-{[2-(Octylamino)ethyl]amino}ethyl) dihydrogen phosphorothioate--water (1/2)
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-[2-(octylamino)ethylamino]ethylsulfanylphosphonic acid;dihydrate Basic Attributes

Molecular Weight：

348.44 g/mol

Exact Mass：

348.18478033 g/mol

Characteristics

PSA：

109 Å²

Computed Properties

Molecular Weight:348.44
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:14
Exact Mass:348.18478033
Monoisotopic Mass:348.18478033
Topological Polar Surface Area:109
Heavy Atom Count:21
Complexity:239
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 2-[2-(octylamino)ethylamino]ethylsulfanylphosphonic acid;dihydrate

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