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Structure

Tetrapotassium [(heptylimino)bis(methylene)]bisphosphonate

CAS
94277-95-9
Catalog Number
ACM94277959
Category
Other Products
Molecular Weight
455.590984 [g/mol]
Molecular Formula
C9H23NO6P2.4K

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Specification

Synonyms
94277-95-9, Tetrapotassium ((heptylimino)bis(methylene))bisphosphonate, TETRAPOTASSIUM [(HEPTYLIMINO)BIS(METHYLENE)]BISPHOSPHONATE, CTK5H6225, EINECS 304-680-2, AG-H-89173
IUPAC Name
tetrapotassium;N,N-bis(phosphonatomethyl)heptan-1-amine
Canonical SMILES
CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+]
InChI Key
HBXALUHSXSGYDT-UHFFFAOYSA-J
EC Number
304-680-2
Exact Mass
454.92400
H-Bond Acceptor
7
H-Bond Donor
0
What is the molecular formula of Tetrapotassium [(heptylimino)bis(methylene)]bisphosphonate?

The molecular formula is C9H19K4NO6P2.

What is the molecular weight of Tetrapotassium [(heptylimino)bis(methylene)]bisphosphonate?

The molecular weight is 455.59 g/mol.

When was Tetrapotassium [(heptylimino)bis(methylene)]bisphosphonate first created?

It was first created on July 12, 2012.

What is the IUPAC name of Tetrapotassium [(heptylimino)bis(methylene)]bisphosphonate?

The IUPAC name is tetrapotassium; N,N-bis(phosphonatomethyl)heptan-1-amine.

What is the InChIKey of Tetrapotassium [(heptylimino)bis(methylene)]bisphosphonate?

The InChIKey is HBXALUHSXSGYDT-UHFFFAOYSA-J.

What is the Canonical SMILES of Tetrapotassium [(heptylimino)bis(methylene)]bisphosphonate?

The Canonical SMILES is CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+].

What is the CAS number of Tetrapotassium [(heptylimino)bis(methylene)]bisphosphonate?

The CAS number is 94277-95-9.

How many hydrogen bond acceptor count does Tetrapotassium [(heptylimino)bis(methylene)]bisphosphonate have?

It has 7 hydrogen bond acceptor count.

What is the topological polar surface area of Tetrapotassium [(heptylimino)bis(methylene)]bisphosphonate?

The topological polar surface area is 130 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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