6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(dimethylamino)-7-methyl-, (Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(dimethylamino)-7-methyl-, (Z)-2-butenedioate (1:1)
• CAS No.: 122113-42-2
• Molecular Formula: C13H16N4O5
• Molecular Weight: 308.2899
• Mol file: 122113-42-2.mol

Synonyms:122113-42-2;6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(dimethylamino)-7-methyl-, (Z)-2-butenedioate (1:1);LS-139619

Chemical Property of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(dimethylamino)-7-methyl-, (Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 4.34E-08mmHg at 25°C
• Boiling Point: 444.3°Cat760mmHg
• Flash Point: 222.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 308.11206962
• Heavy Atom Count: 22
• Complexity: 362

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)CC2=CN=C(N=C21)N(C)C.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN1C(=O)CC2=CN=C(N=C21)N(C)C.C(=C/C(=O)O)\C(=O)O