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N,N-dibenzyl-2-chloro-7H-purin-6-amine

N,N-dibenzyl-2-chloro-7H-purin-6-amine

CAS: 496955-47-6

Formula: C19H16ClN5

SMILES: ClC1=NC(N(CC2=CC=CC=C2)CC2=CC=CC=C2)=C2NC=NC2=N1

IUPAC: N,N-dibenzyl-2-chloro-7H-purin-6-amine

InChI: InChI=1S/C19H16ClN5/c20-19-23-17-16(21-13-22-17)18(24-19)25(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,22,23,24)

Composition: C (65.24%), H (4.61%), Cl (10.13%), N (20.02%)

Molar Mass: 349.82

Atom Count: 41

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 349.1094232
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey WWLHJEMGMGWORO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.67
Topological Polar Surface Area 57.7
Polarizability 38.2
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 496955-47-6 $323.19-$3,572.10$323.19$595.35$1,190.70$3,572.10
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