Bradykinin, phe(8)-psi-CH2NH-arg(9)-

Base Information

• Chemical Name: Bradykinin, phe(8)-psi-CH2NH-arg(9)-
• CAS No.: 118122-39-7
• Molecular Formula: C50H75 N15 O10
• Molecular Weight: 1046.22
• DSSTox Substance ID: DTXSID60152019
• Nikkaji Number: J413.937B
• Mol file: 118122-39-7.mol

Synonyms:8-Phe-9-psi-CH2NH-Arg-bradykinin;bradykinin, Phe(8)-psi-CH2NH-Arg(9)-;bradykinin, phenylalanyl(8)-psi-(methylamino)-arginine(9)-;PPCNA-BK

Chemical Property of Bradykinin, phe(8)-psi-CH2NH-arg(9)-

Chemical Property:

• PSA: 410.67000
• Density: 1.46g/cm³
• LogP: 3.55230
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 28
• Exact Mass: 1045.58213365
• Heavy Atom Count: 75
• Complexity: 1990

Purity/Quality:

99% ^*data from raw suppliers

[Phe8Y(CH-NH)Arg9]-Bradykinin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)CNC(CCCN=C(N)N)C(=O)O
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)CN[C@@H](CCCN=C(N)N)C(=O)O