1H-Purine-2,6-dione, 3,7-dihydro-8-((2-(dibutylamino)ethyl)amino)-1,3-dimethyl-7-(phenylmethyl)-, (Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-((2-(dibutylamino)ethyl)amino)-1,3-dimethyl-7-(phenylmethyl)-, (Z)-2-butenedioate (1:1)
• CAS No.: 130187-62-1
• Molecular Formula: C28H40N6O6
• Molecular Weight: 556.6538
• Mol file: 130187-62-1.mol

Synonyms:7-Benzyl-8-(2-N,N-di-n-butylaminoethyl)aminotheophylline hydromaleate;1H-Purine-2,6-dione, 3,7-dihydro-8-((2-(dibutylamino)ethyl)amino)-1,3-dimethyl-7-(phenylmethyl)-, (Z)-2-butenedioate (1:1);130187-62-1;C24H36N6O2.C4H4O4;LS-126676;C24-H36-N6-O2.C4-H4-O4

Chemical Property of 1H-Purine-2,6-dione, 3,7-dihydro-8-((2-(dibutylamino)ethyl)amino)-1,3-dimethyl-7-(phenylmethyl)-, (Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 1.18E-14mmHg at 25°C
• Boiling Point: 606.4°C at 760 mmHg
• Flash Point: 320.5°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 14
• Exact Mass: 556.30093302
• Heavy Atom Count: 40
• Complexity: 722

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)CCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCCCN(CCCC)CCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C.C(=C/C(=O)O)\C(=O)O