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1,3-Propanediaminium,2-hydroxy-N1,N1,N1,N3,N3,N3-hexamethyl-, iodide (1:2) (123-47-7)

Identification
Name:1,3-Propanediaminium,2-hydroxy-N1,N1,N1,N3,N3,N3-hexamethyl-, iodide (1:2)
Synonyms:(2-Hydroxytrimethylene)bis[trimethylammoniumiodide] (6CI,7CI);1,3-Propanediaminium, 2-hydroxy-N,N,N,N',N',N'-hexamethyl-,diiodide (9CI);Ammonium, (2-hydroxytrimethylene)bis[trimethyl-, diiodide(8CI);Endoiodin;Endoiodine;Endojodin;Endoton;Endoyodina;Entodon;Esoiodine;Espectona-Gotas;Hexayodina;Intraiodine;Intrajodin;Iodisan;Iodo-Fluothymina;Iodoxil;Prolonium iodide;Propiodal;Soluyodina;Yodanodia;Yodorgan;
CAS:123-47-7
EINECS: 204-630-9
Molecular Formula: C9H24I2N2O
Molecular Weight: 430.1086
InChI: InChI=1/C9H24N2O.2HI/c1-10(2,3)7-9(12)8-11(4,5)6;;/h9,12H,7-8H2,1-6H3;2*1H/q+2;;/p-2
Molecular Structure: (C9H24I2N2O) (2-Hydroxytrimethylene)bis[trimethylammoniumiodide] (6CI,7CI);1,3-Propanediaminium, 2-hydroxy-N,N,N,...
Properties
Specification:

The Prolonium iodide, with CAS registry number 123-47-7, has the systematic name of 2-hydroxy-N,N,N,N',N',N'-hexamethylpropane-1,3-diaminium diiodide. Besides this, it is also called 1,3-Propanediaminium, 2-hydroxy-N,N,N,N',N',N'-hexamethyl-, diiodide. What's more, its EINECS is 204-630-9.

Physical properties about this chemical are: (1)ACD/LogP: -3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.63; (4)ACD/LogD (pH 7.4): -3.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [I-].[I-].OC(C[N+](C)(C)C)C[N+](C)(C)C
(2)InChI: InChI=1/C9H24N2O.2HI/c1-10(2,3)7-9(12)8-11(4,5)6;;/h9,12H,7-8H2,1-6H3;2*1H/q+2;;/p-2
(3)InChIKey: UOZDOLIXBYLRAC-NUQVWONBAO
(4)Std. InChI: InChI=1S/C9H24N2O.2HI/c1-10(2,3)7-9(12)8-11(4,5)6;;/h9,12H,7-8H2,1-6H3;2*1H/q+2;;/p-2
(5)Std. InChIKey: UOZDOLIXBYLRAC-UHFFFAOYSA-L

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