8-(aminomethyl)-1,3...

8-(aminomethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 5426-57-3

8-(aminomethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 5426-57-3

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

8-(aminomethyl)-1,3-dimethyl-7H-purine-2,6-dione 5426-57-3 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
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Details:

【Name】
8-(aminomethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
【CAS Registry number】
5426-57-3
【Synonyms】
8-(aminomethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
NSC14291
AC1L4YWI
AC1Q6LBN
AR-1H4027
NSC-14291
8-(aminomethyl)-1,3-dimethyl-7H-purine-2,6-dione
【Molecular Formula】
C8H11N5O2 (Products with the same molecular formula)
【Molecular Weight】
209.2052
【Inchi】
InChI=1/C8H11N5O2/c1-12-6-5(10-4(3-9)11-6)7(14)13(2)8(12)15/h3,9H2,1-2H3,(H,10,11)
【Canonical SMILES】
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CN
【MOL File】
5426-57-3.mol
Chemical and Physical Properties
【Density】
1.464g/cm3
【Boiling Point】
503.7°C at 760 mmHg
【Refractive Index】
1.641
【Flash Point】
258.5°C
【Computed Properties】
Molecular Weight:209.20524 [g/mol]
Molecular Formula:C8H11N5O2
XLogP3:-1.1
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:1
Tautomer Count:4
Exact Mass:209.091275
MonoIsotopic Mass:209.091275
Topological Polar Surface Area:95.3
Heavy Atom Count:15
Formal Charge:0
Complexity:307
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:2
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

 

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