CID 3086621

Base Information

• Chemical Name: CID 3086621
• CAS No.: 128326-81-8
• Molecular Formula: C16H26 Ca N5 O8 . H
• Molecular Weight: 459.5071
• DSSTox Substance ID: DTXSID10155853
• NCI Thesaurus Code: C83578
• Mol file: 128326-81-8.mol

Synonyms:Caldiamide;128326-81-8;Caldiamide [INN];calcium;2-[bis[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid;DTXSID10155853

Chemical Property of CID 3086621

Chemical Property:

• Vapor Pressure: 6.54E-26mmHg at 25°C
• Boiling Point: 769.1°Cat760mmHg
• Flash Point: 419°C
• PSA: 186.80000
• Density: g/cm³
• LogP: -1.68120
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 16
• Exact Mass: 459.1642038
• Heavy Atom Count: 30
• Complexity: 544

Purity/Quality:

99%, ^*data from raw suppliers

CALDIAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)O)CC(=O)O)CC(=O)O.[Ca+2]
• Uses: Pharmaceutic aid.