CAS No.123-47-7,2-HYDROXY-N,N,N,N',N',N'-HEXAMETHYL-1,3-PROPANE DIAMINIUM DI IODIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	123-47-7
Name:	2-HYDROXY-N,N,N,N',N',N'-HEXAMETHYL-1,3-PROPANE DIAMINIUM DI IODIDE

Formula:	C₉H₂₄I₂N₂O
Molecular Weight:	430.111
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;
EINECS:	204-630-9
Melting Point:	~275° with decompn
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	20.23000
LogP:	-6.23230

Synthetic route

: 64-17-5
ethanol

: 123-47-7
N,N,N,N',N',N'-hexamethyl-1,3-diammonium-2-propanol diiodide

: 75-50-3
trimethylamine

A: 5966-51-8
1,3-bis-(dimethylamino)propan-2-ol

B: 75-58-1
tertamethylammonium iodide

Conditions

Conditions	Yield
at 100℃;

...Expand

: 39775-75-2
potassium tetraiodobismuthate(III)

: 123-47-7
N,N,N,N',N',N'-hexamethyl-1,3-diammonium-2-propanol diiodide

: CH(OH)(CH2N(CH3)3)2(2+)*2I(1-)*2BiI3=CH(OH)(CH2N(CH3)3I)2*2BiI3

Conditions

Conditions	Yield
In hydrogenchloride addition of K(BiI4) to an aq. hydrochloric solution of the organic compound;; washing with alcohol, drying at 40°C;;

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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