Ibandronic Acid

[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid

CAS: 114084-78-5

Molecular Formula	`C9H23NO7P2`
Molecular Weight	319.23 g/mol
LogP	-4.1
Topological Polar Surface Area	139.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	319.09497
Heavy Atoms	19
Complexity	342.0

Chemical Identifiers

CAS Number	114084-78-5
SMILES	`CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O`
InChIKey	`MPBVHIBUJCELCL-UHFFFAOYSA-N`

📖 Product Overview

Ibandronic Acid (CAS: 114084-78-5) is a chemical compound with molecular formula C9H23NO7P2 and molecular weight 319.23 g/mol. Its IUPAC systematic name is [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid. LogP -4.1 Topological Polar Surface Area 139.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 8 Rotatable Bonds 9 Exact Mass 319.09497 Heavy Atoms 19 Complexity 342.0 InChI Key: MPBVHIBUJCELCL-UHFFFAOYSA-N. SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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