Trisodium hydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate

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CAS
94201-99-7
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Purity
96%
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Catalog Number

ACM94201997

Product Name

Trisodium hydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate

CAS

94201-99-7

Category

Heterocyclic Organic Compound

Synonyms

EINECS 303-690-4, 94201-99-7

IUPAC Name

trisodium;hydron;3,5,5-trimethyl-N,N-bis(phosphonatomethyl)hexan-1-amine

Molecular Weight

397.228192 [g/mol]

Molecular Formula

C11H24NNa3O6P2

Canonical SMILES

[H+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C.[Na+].[Na+].[Na+]

InChI Key

NTDFHCTXJNJLIR-UHFFFAOYSA-K

EC Number

303-690-4

Exact Mass

397.07700

H-Bond Acceptor

7

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of trisodium hydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?

The molecular formula is C11H24NNa3O6P2.

When was trisodium hydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate created?

It was created on August 20, 2009.

What is the IUPAC name of trisodium hydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?

The IUPAC name is trisodium;hydroxy-[[phosphonatomethyl(3,5,5-trimethylhexyl)amino]methyl]phosphinate.

Which identifier is associated with trisodium hydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate in the CAS system?

The identifier is 94087-54-4 in the CAS system.

What is the molecular weight of trisodium hydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?

The molecular weight is 397.23 g/mol.

How many hydrogen bond donor counts are present in trisodium hydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?

There is 1 hydrogen bond donor count.

What is the hydrogen bond acceptor count in trisodium hydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?

The hydrogen bond acceptor count is 7.

What is the topological polar surface area of trisodium hydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?

The topological polar surface area is 127 Å².

How many rotatable bond counts are present in trisodium hydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?

There are 8 rotatable bond counts.

What is the defined atom stereocenter count in trisodium hydrogen[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate?

The defined atom stereocenter count is 0.

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