6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine

Base Information

• Chemical Name: 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
• CAS No.: 18861-37-5
• Molecular Formula: C23H23Cl2N5O2
• Molecular Weight: 472.367
• NSC Number: 212455
• DSSTox Substance ID: DTXSID00420340
• Wikidata: Q82231587

Synonyms:NSC212455;18861-37-5;DTXSID00420340;NSC-212455

Chemical Property of 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine

Chemical Property:

• Vapor Pressure: 8.85E-21mmHg at 25°C
• Boiling Point: 723.4°Cat760mmHg
• Flash Point: 391.3°C
• Density: 1.439g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 471.1228804
• Heavy Atom Count: 32
• Complexity: 605

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)(CCl)C=CC2=CC=C(C=C2)NCC3=C(C(=NC(=N3)N)N)C4=CC=C(C=C4)Cl
• Isomeric SMILES: C1COC(O1)(CCl)/C=C/C2=CC=C(C=C2)NCC3=C(C(=NC(=N3)N)N)C4=CC=C(C=C4)Cl

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