Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl]imino]bis(methylene)]bisphosphonate

Name: Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl]imino]bis(methylene)]bisphosphonate
SKU: ACM93762211
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CAS

93762-21-1

Catalog Number

ACM93762211

Category

Other Products

Molecular Weight

369.263932 [g/mol]

Molecular Formula

C₁₁H₂₇NO₇P₂Na

COA MSDS SDS Spec Sheet

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Specification

Synonyms

EINECS 297-734-9, Sodium trihydrogen (((3-(1,3-dimethylbutoxy)propyl)imino)bis(methylene))bisphosphonate, 93762-21-1

IUPAC Name

sodium hydroxy-[[3-(4-methylpentan-2-yloxy)propyl-(phosphonomethyl)amino]methyl]phosphinate

SMILES

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

InChI Key

IIJRGBSRPWYALV-UHFFFAOYSA-M

EC Number

297-734-9

Exact Mass

369.10800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate?

The molecular formula is C11H26NNaO7P2.

What is the molecular weight of Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate?

The molecular weight is 369.26 g/mol.

What is the IUPAC name of Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate?

The IUPAC name is sodium;hydroxy-[[3-(4-methylpentan-2-yloxy)propyl-(phosphonomethyl)amino]methyl]phosphinate.

What is the Canonical SMILES of Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate?

The Canonical SMILES is CC(C)CC(C)OCCCN(CP(=O)(O)O)CP(=O)(O)[O-].[Na+].

What is the CAS number of Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate?

The CAS number is 93762-21-1.

How many hydrogen bond donor counts does Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate have?

It has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate have?

It has 8 hydrogen bond acceptor counts.

What is the topological polar surface area of Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate?

The topological polar surface area is 130 Å2.

How many rotatable bond counts does Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate have?

It has 11 rotatable bond counts.

Is Sodium trihydrogen[[[3-(1,3-dimethylbutoxy)propyl)imino]bis(methylene)]bisphosphonate canonicalized?

Yes, it is canonicalized.

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