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94230-69-0

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Basic Information
CAS No.: 94230-69-0
Name: dipotassium dihydrogen [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate
Molecular Structure:
Molecular Structure of 94230-69-0 (dipotassium dihydrogen [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate)
Formula: C11H27K2NO6P2
Molecular Weight: 405.45
Synonyms: Dipotassium dihydrogen [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate;Dipotassium 3,5,5-trimethyl-N,N-bis(phosphonatomethyl)hexan-1-amine;
EINECS: 303-779-8
PSA: 143.58000
LogP: 2.89760
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  • Phosphonic acid, [[(3,5,5-trimethylhexyl)imino]bis(methylene)]bis-, dipotassium salt (9CI)

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    94230-69-0

    Phosphonic acid, [[(3,5,5-trimethylhexyl)imino]bis(methylene)]bis-, dipotassium salt (9CI)

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Specification

The Phosphonic acid, [[(3,5,5-trimethylhexyl)imino]bis(methylene)]bis-, dipotassium salt (9CI), with the CAS registry number 94230-69-0, is also known as Dipotassium dihydrogen [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate. Its EINECS number is 303-779-8. This chemical's molecular formula is C11H27K2NO6P2 and molecular weight is 405.45. What's more, its systematic name is Dipotassium 3,5,5-trimethyl-N,N-bis(phosphonatomethyl)hexan-1-amine. 

Physical properties of Phosphonic acid, [[(3,5,5-trimethylhexyl)imino]bis(methylene)]bis-, dipotassium salt (9CI) are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 7; (3)Rotatable Bond Count: 8; (4)Exact Mass: 407.043124; (5)MonoIsotopic Mass: 407.043124; (6)Topological Polar Surface Area: 124; (7)Heavy Atom Count: 22; (8)Formal Charge: 0; (9)Complexity: 371; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 1; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CC(C)(C)C.[K+].[K+]
(2)InChI: InChI=1S/C11H27NO6P2.2K/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;/q;2*+1/p-2
(3)InChIKey: XDNCIMPVIMWTRR-UHFFFAOYSA-L