Dopamine, N-benzyloxycarboxyl-lys-pro-amide-

Base Information

• Chemical Name: Dopamine, N-benzyloxycarboxyl-lys-pro-amide-
• CAS No.: 117992-59-3
• Molecular Formula: C27H34 N4 O7
• Molecular Weight: 526.58
• DSSTox Substance ID: DTXSID30151978
• Wikidata: Q83018530
• Mol file: 117992-59-3.mol

Synonyms:dopamine, N-benzyloxycarboxyl-Lys-Pro-amide-;Z-dopamide-lysyl-proline;Z-lysyl-prolyl-dopamide

Chemical Property of Dopamine, N-benzyloxycarboxyl-lys-pro-amide-

Chemical Property:

• Vapor Pressure: 4.85E-29mmHg at 25°C
• Boiling Point: 833.6°Cat760mmHg
• PKA: 9.54±0.10(Predicted)
• Flash Point: 458°C
• PSA: 178.27000
• Density: 1.321g/cm³
• LogP: 3.38100
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 526.24274944
• Heavy Atom Count: 38
• Complexity: 804

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)CC2=CC(=C(C=C2)O)O)C(=O)NC(=O)C(CCCCN)NC(=O)OCC3=CC=CC=C3
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)CC2=CC(=C(C=C2)O)O)C(=O)NC(=O)[C@H](CCCCN)NC(=O)OCC3=CC=CC=C3