1-(4-Aminobenzyl)-4-methyl-dtpa

Base Information

• Chemical Name: 1-(4-Aminobenzyl)-4-methyl-dtpa
• CAS No.: 132979-67-0
• Molecular Formula: C22H32 N4 O10 . 4 Cl H
• Molecular Weight: 658.35404
• DSSTox Substance ID: DTXSID00157886
• Mol file: 132979-67-0.mol

Synonyms:1-(4-aminobenzyl)-4-methyl-DTPA;1-(4-aminobenzyl)-4-methyl-DTPA tetrahydrochloride, (R*,R*)-(+-) isomer;1-(p-aminobenzyl)-4-methyl-DTPA;1-ABM-DTPA

Chemical Property of 1-(4-Aminobenzyl)-4-methyl-dtpa

Chemical Property:

• Vapor Pressure: 7.78E-30mmHg at 25°C
• Boiling Point: 838.4°Cat760mmHg
• Flash Point: 460.9°C
• PSA: 222.24000
• Density: g/cm³
• LogP: 2.68660
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 18
• Exact Mass: 658.115604
• Heavy Atom Count: 40
• Complexity: 740

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN(CC(CC1=CC=C(C=C1)N)N(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.Cl.Cl.Cl.Cl
• Isomeric SMILES: C[C@@H](CN(C[C@@H](CC1=CC=C(C=C1)N)N(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.Cl.Cl.Cl.Cl

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