1,N(6)-Propanodeoxyadenosine

Base Information

• Chemical Name: 1,N(6)-Propanodeoxyadenosine
• CAS No.: 132461-42-8
• Molecular Formula: C13H17 N5 O4
• Molecular Weight: 307.31
• DSSTox Substance ID: DTXSID10927698
• Nikkaji Number: J1.997.602E
• Mol file: 132461-42-8.mol

Synonyms:1,N(6)-PDA;1,N(6)-propanodeoxyadenosine

Chemical Property of 1,N(6)-Propanodeoxyadenosine

Chemical Property:

• Vapor Pressure: 2.03E-22mmHg at 25°C
• Boiling Point: 730.8°Cat760mmHg
• Flash Point: 395.8°C
• PSA: 117.92000
• Density: 1.89g/cm³
• LogP: -2.06810
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 307.12805404
• Heavy Atom Count: 22
• Complexity: 501

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2C=NC3=C(C2=NC1O)N=CN3C4CC(C(O4)CO)O
• Isomeric SMILES: C1CN2C=NC3=C(C2=NC1O)N=CN3[C@H]4C[C@@H]([C@H](O4)CO)O