Gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)

Base Information

• Chemical Name: Gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)
• CAS No.: 120691-20-5
• Molecular Formula: C12H24 Gd N3 O9 P3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50152967
• Mol file: 120691-20-5.mol

Synonyms:gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid);Gd-DOTRP

Chemical Property of Gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)

Chemical Property:

• Boiling Point: 748°Cat760mmHg
• Flash Point: 406.2°C
• PSA: 228.72000
• Density: g/cm³
• LogP: 1.92480
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 604.99665
• Heavy Atom Count: 28
• Complexity: 463

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCCN(CCCN(C1)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Gd+3]