N-benzyl-2-chloro-7H-purin-6-amine

N-benzyl-2-chloro-7H-purin-6-amine

CAS: 39639-47-9

Formula: C12H10ClN5

SMILES: ClC1=NC(NCC2=CC=CC=C2)=C2NC=NC2=N1

IUPAC: N-benzyl-2-chloro-7H-purin-6-amine

InChI: InChI=1S/C12H10ClN5/c13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,15,16,17,18)

Composition: C (55.50%), H (3.88%), Cl (13.65%), N (26.97%)

Molar Mass: 259.7

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	259.062473
Formal Charge	0
FSP3	0.08
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	IJKBYBPPNNHJSF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.82
Topological Polar Surface Area	66.49
Polarizability	26.77
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	39639-47-9		$52.96-$128.62$52.96$128.62