2-(4-aminophenyl)-5...

2-(4-aminophenyl)-5H-purin-6-amine(CAS No. 5466-69-3)

2-(4-aminophenyl)-5H-purin-6-amine(CAS No. 5466-69-3)

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2-(4-aminophenyl)-5H-purin-6-amine 5466-69-3 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
2-(4-aminophenyl)-5H-purin-6-amine
【Iupac name】
2-(4-aminophenyl)-7H-purin-6-amine
【CAS Registry number】
5466-69-3
【Synonyms】
2-(4-aminophenyl)-7H-purin-6-amine
5466-69-3
AC1NP5VV
NSC26376
NSC-26376
【Molecular Formula】
C11H10N6 (Products with the same molecular formula)
【Molecular Weight】
226.2373
【Inchi】
InChI=1/C11H10N6/c12-7-3-1-6(2-4-7)10-16-9(13)8-11(17-10)15-5-14-8/h1-5,8H,12H2,(H2,13,14,15,16,17)
【Canonical SMILES】
C1=CC(=CC=C1C2=NC3=C(C(=N2)N)NC=N3)N
【MOL File】
5466-69-3.mol
Chemical and Physical Properties
【Density】
1.65g/cm3
【Boiling Point】
455.9°C at 760 mmHg
【Refractive Index】
1.862
【Flash Point】
229.5°C
【Computed Properties】
Molecular Weight:226.2373 [g/mol]
Molecular Formula:C11H10N6
XLogP3-AA:0.7
H-Bond Donor:3
H-Bond Acceptor:1
Rotatable Bond Count:1
Tautomer Count:54
Exact Mass:226.096694
MonoIsotopic Mass:226.096694
Topological Polar Surface Area:107
Heavy Atom Count:17
Formal Charge:0
Complexity:265
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 Donor Count:3
Feature 3D Cation Count:5
Feature 3D Ring Count:3
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:1

 

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