1-(2,4-Bis-allylaminopyrimidin-6-yl)-4-(benzothien-5-ylmethyl)piperazine fumarate

Base Information

• Chemical Name: 1-(2,4-Bis-allylaminopyrimidin-6-yl)-4-(benzothien-5-ylmethyl)piperazine fumarate
• CAS No.: 87813-85-2
• Molecular Formula: C27H32N6O4S
• Molecular Weight: 536.6458

Synonyms:1-(2,4-Bis-allylaminopyrimidin-6-yl)-4-(benzothien-5-ylmethyl)piperazine fumarate;2,4-Pyrimidinediamine, 6-(4-(benzo(b)thien-5-ylmethyl)-1-piperazinyl)-N,N'-di-2-propenyl-, (E)-2-butenedioate (1:1);87813-85-2;C23H28N6S.C4H4O4;LS-134956

Chemical Property of 1-(2,4-Bis-allylaminopyrimidin-6-yl)-4-(benzothien-5-ylmethyl)piperazine fumarate

Chemical Property:

• Boiling Point: 638.5°Cat760mmHg
• Flash Point: 340°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 536.22057470
• Heavy Atom Count: 38
• Complexity: 671

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCNC1=CC(=NC(=N1)NCC=C)N2CCN(CC2)CC3=CC4=C(C=C3)SC=C4.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C=CCNC1=CC(=NC(=N1)NCC=C)N2CCN(CC2)CC3=CC4=C(C=C3)SC=C4.C(=C/C(=O)O)\C(=O)O

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