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N2-benzyl-6-chloro-N4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

N2-benzyl-6-chloro-N4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

Formula: C17H16ClN5

SMILES: CC1=CC=C(NC2=NC(NCC3=CC=CC=C3)=NC(Cl)=N2)C=C1

IUPAC: N2-benzyl-6-chloro-N4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

InChI: InChI=1S/C17H16ClN5/c1-12-7-9-14(10-8-12)20-17-22-15(18)21-16(23-17)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,20,21,22,23)

Composition: C (62.67%), H (4.95%), Cl (10.88%), N (21.50%)

Molar Mass: 325.8

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 325.1094232
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey JRNSQORPHMGSLJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 96.25
Topological Polar Surface Area 62.73
Polarizability 34.72
Ring Count 3
Rotatable Bond Count 5

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H16ClN5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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