8-(2-Cyclopentylethyl)theophylline

Base Information

• Chemical Name: 8-(2-Cyclopentylethyl)theophylline
• CAS No.: 74039-71-7
• Molecular Formula: C14H20N4O2
• Molecular Weight: 276.3342
• NSC Number: 101805
• UNII: VF2P05B42N
• DSSTox Substance ID: DTXSID70224938
• Nikkaji Number: J130.174H
• Wikidata: Q83103761
• ChEMBL ID: CHEMBL2144519
• Mol file: 74039-71-7.mol

Synonyms:8-(2-Cyclopentylethyl)theophylline;74039-71-7;Theophylline, 8-(2-cyclopentylethyl)-;MLS002703674;VF2P05B42N;1H-Purine-2,6-dione, 8-(2-cyclopentylethyl)-3,7-dihydro-1,3-dimethyl-;NSC-101805;8-(2-Cyclopentylethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;NSC 101805;NSC101805;NCIOpen2_006760;UNII-VF2P05B42N;CHEMBL2144519;DTXSID70224938;SMR001570391;1H-Purine-2, 8-(2-cyclopentylethyl)-3,7-dihydro-1,3-dimethyl-;1H-PURINE-2,6-DIONE, 8-(2-CYCLOPENTYLETHYL)-3,9-DIHYDRO-1,3-DIMETHYL-;8-(2-cyclopentylethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Chemical Property of 8-(2-Cyclopentylethyl)theophylline

Chemical Property:

• Vapor Pressure: 9.14E-11mmHg at 25°C
• Boiling Point: 516.3°Cat760mmHg
• Flash Point: 266°C
• PSA: 72.68000
• Density: 1.253g/cm³
• LogP: 1.08310
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 276.15862589
• Heavy Atom Count: 20
• Complexity: 408

Purity/Quality:

99% ^*data from raw suppliers

8-(2-CYCLOPENTYLETHYL)THEOPHYLLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC3CCCC3