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Structure

Diammonium dihydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]bisphosphonate

CAS
94107-74-1
Catalog Number
ACM94107741
Category
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What is the molecular formula of Diammonium dihydrogen[((3,5,5-trimethylhexyl)imino)bis(methylene)]bisphosphonate?

The molecular formula is C11H33N3O6P2.

What is the molecular weight of Diammonium dihydrogen[((3,5,5-trimethylhexyl)imino)bis(methylene)]bisphosphonate?

The molecular weight is 365.34 g/mol.

What is the IUPAC name of Diammonium dihydrogen[((3,5,5-trimethylhexyl)imino)bis(methylene)]bisphosphonate?

The IUPAC name is diazanium;[phosphonatomethyl(3,5,5-trimethylhexyl)amino]methylphosphonic acid.

What is the InChI of Diammonium dihydrogen[((3,5,5-trimethylhexyl)imino)bis(methylene)]bisphosphonate?

The InChI is InChI=1S/C11H27NO6P2.2H3N/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);2*1H3.

What is the InChIKey of Diammonium dihydrogen[((3,5,5-trimethylhexyl)imino)bis(methylene)]bisphosphonate?

The InChIKey is PIYLVOZEPSGBOJ-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Diammonium dihydrogen[((3,5,5-trimethylhexyl)imino)bis(methylene)]bisphosphonate have?

It has 4 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Diammonium dihydrogen[((3,5,5-trimethylhexyl)imino)bis(methylene)]bisphosphonate have?

It has 7 hydrogen bond acceptor counts.

What is the topological polar surface area of Diammonium dihydrogen[((3,5,5-trimethylhexyl)imino)bis(methylene)]bisphosphonate?

The topological polar surface area is 126 Å2.

How many covalently-bonded unit counts does Diammonium dihydrogen[((3,5,5-trimethylhexyl)imino)bis(methylene)]bisphosphonate have?

It has 3 covalently-bonded unit counts.

Is the compound canonicalized for Diammonium dihydrogen[((3,5,5-trimethylhexyl)imino)bis(methylene)]bisphosphonate?

Yes, the compound is canonicalized.

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