6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1)
• CAS No.: 122113-45-5
• Molecular Formula: C16H21N5O5
• Molecular Weight: 363.36844
• Mol file: 122113-45-5.mol

Synonyms:122113-45-5;6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1);(E)-but-2-enedioic acid;7-methyl-2-(4-methylpiperazin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;but-2-enedioic acid, 9-methyl-3-(4-methylpiperazin-1-yl)-2,4,9-triazab icyclo[4.3.0]nona-1,3,5-trien;C12H17N5O.C4H4O4;C12-H17-N5-O.C4-H4-O4;LS-139631

Chemical Property of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 1.32E-10mmHg at 25°C
• Boiling Point: 512.2°Cat760mmHg
• Flash Point: 263.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 363.15426879
• Heavy Atom Count: 26
• Complexity: 447

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C.C(=C/C(=O)O)\C(=O)O

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