6-chloro-2,9-diethyl-9H-purine(CAS No. 5466-13-7)

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1 Gram	Negotiable

1 Gram

Negotiable

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Purity: 99%
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Keywords

6-chloro-2,9-diethyl-purine 5466-13-7 C9H11ClN4

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Appearance:Solid
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Details:

【Name】
6-chloro-2,9-diethyl-9H-purine
【CAS Registry number】
5466-13-7
【Synonyms】
9H-Purine, 6-chloro-2,9-diethyl
【Molecular Formula】
C9H11ClN4 (Products with the same molecular formula)
【Molecular Weight】
210.6634
【Inchi】
InChI=1/C9H11ClN4/c1-3-6-12-8(10)7-9(13-6)14(4-2)5-11-7/h5H,3-4H2,1-2H3
【Canonical SMILES】
CCC1=NC2=C(C(=N1)Cl)N=CN2CC
【MOL File】
5466-13-7.mol
Chemical and Physical Properties
【Density】
1.37g/cm3
【Boiling Point】
271.2°C at 760 mmHg
【Refractive Index】
1.657
【Flash Point】
117.8°C
【Computed Properties】
Molecular Weight:210.66344 [g/mol]
Molecular Formula:C9H11ClN4
XLogP3-AA:2.1
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:210.067224
MonoIsotopic Mass:210.067224
Topological Polar Surface Area:43.6
Heavy Atom Count:14
Formal Charge:0
Complexity:201
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:4

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