3-Iodo-4-azidophenpyramine

Base Information

• Chemical Name: 3-Iodo-4-azidophenpyramine
• CAS No.: 114896-56-9
• Molecular Formula: C29H36 I N7 O2
• Molecular Weight: 640.53731
• DSSTox Substance ID: DTXSID60150893
• Wikidata: Q83017192
• Mol file: 114896-56-9.mol

Synonyms:3-iodo-4-azidophenpyramine;iodoazidophenpyramine

Chemical Property of 3-Iodo-4-azidophenpyramine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 110.94000
• Density: g/cm³
• LogP: 6.39726
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 16
• Exact Mass: 639.19768
• Heavy Atom Count: 39
• Complexity: 745

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCCCCNC(=O)CC1=CC(=C(C=C1)N=[N+]=[N-])I)CCN(CC2=CC=C(C=C2)OC)C3=CC=CC=N3
• Isomeric SMILES: CN(CCCCCNC(=O)CC1=CC(=C(C=C1)N=[N+]=[N-])[125I])CCN(CC2=CC=C(C=C2)OC)C3=CC=CC=N3