[(Heptylimino)bis(methylene)]bisphosphonic acid,potassium salt

CAS

94232-14-1

Catalog Number

ACM94232141

Category

Other Products

Molecular Weight

455.590984 [g/mol]

Molecular Formula

C9H19K4NO6P2

MSDS COA Spec Sheet

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Specification

Synonyms

94277-95-9, Tetrapotassium ((heptylimino)bis(methylene))bisphosphonate, TETRAPOTASSIUM [(HEPTYLIMINO)BIS(METHYLENE)]BISPHOSPHONATE, CTK5H6225, EINECS 304-680-2, 94232-14-1

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

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C9H19K4NO6P2.

What is the molecular weight of the compound?

The molecular weight of the compound is 455.59 g/mol.

What is the IUPAC name of the compound?

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

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H23NO6P2.4K/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);;;;/q;4*+1/p-4.

What is the InChIKey of the compound?

The InChIKey of the compound is HBXALUHSXSGYDT-UHFFFAOYSA-J.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+].

What is the CAS number of the compound?

The CAS number of the compound is 94277-95-9.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 304-680-2.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID90241384.

Is the compound canonicalized?

Yes, the compound is canonicalized.