N-(2-(9H-Purin-6-YL)ethyl)butan-1-amine

Base Information

• Chemical Name: N-(2-(9H-Purin-6-YL)ethyl)butan-1-amine
• CAS No.: 686321-80-2
• Molecular Formula: C11H17N5
• Molecular Weight: 219.29
• DSSTox Substance ID: DTXSID80700379
• Wikidata: Q82631690
• Mol file: 686321-80-2.mol

Synonyms:686321-80-2;N-(2-(9H-PURIN-6-YL)ETHYL)BUTAN-1-AMINE;DTXSID80700379;butyl[2-(9H-purin-6-yl)ethyl]amine;N-[2-(7H-purin-6-yl)ethyl]butan-1-amine

Chemical Property of N-(2-(9H-Purin-6-YL)ethyl)butan-1-amine

Chemical Property:

• Boiling Point: 450.5±30.0 °C(Predicted)
• PKA: 9.18±0.10(Predicted)
• PSA: 66.49000
• Density: 1.159±0.06 g/cm3(Predicted)
• LogP: 1.67600
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 219.14839556
• Heavy Atom Count: 16
• Complexity: 199

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNCCC1=C2C(=NC=N1)N=CN2