6,7,8,9,10,11-hexah...

6,7,8,9,10,11-hexahydrocycloocta[g]pteridine-2,4-diamine 53274-33-2

6,7,8,9,10,11-hexahydrocycloocta[g]pteridine-2,4-diamine 53274-33-2

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1 Kilogram

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

Cycloocta[g]pteridine-2,4-diamine, 6,7,8,9,10,11-hexahydro- 6,7,8,9,10,11-hexahydrocycloocta[g]pteridine-2,4-diamine 53274-33-2

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  • ProductionCapacity:100|Kilogram|Month
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Details:

Identification and Related Records
【Name】
6,7,8,9,10,11-hexahydrocycloocta[g]pteridine-2,4-diamine
【Iupac name】
6,7,8,9,10,11-hexahydrocycloocta[g]pteridine-2,4-diamine
【CAS Registry number】
53274-33-2
【Synonyms】
NSC251044
AC1L7WLK
NSC-251044
6,7,8,9,10,11-HEXAHYDROCYCLOOCTA[G]PTERIDINE-2,4-DIAMINE
6,8,9,10,11-HEXAHYDROCYCLOOCTA[G]PTERIDINE-2,4-DIAMINE
53274-33-2
【Molecular Formula】
C12H16N6 (Products with the same molecular formula)
【Molecular Weight】
244.2956
【Inchi】
InChI=1/C12H16N6/c13-10-9-11(18-12(14)17-10)16-8-6-4-2-1-3-5-7(8)15-9/h1-6H2,(H4,13,14,16,17,18)
【Canonical SMILES】
C1CCCC2=NC3=C(C(=NC(=N3)N)N)N=C2CC1
【MOL File】
53274-33-2.mol
Chemical and Physical Properties
【Density】
1.332g/cm3
【Boiling Point】
550.1°C at 760 mmHg
【Refractive Index】
1.701
【Flash Point】
320.6°C
【Computed Properties】
Molecular Weight:244.29564 [g/mol]
Molecular Formula:C12H16N6
XLogP3-AA:1.3
H-Bond Donor:2
H-Bond Acceptor:1
Rotatable Bond Count:0
Tautomer Count:123
Exact Mass:244.143645
MonoIsotopic Mass:244.143645
Topological Polar Surface Area:104
Heavy Atom Count:18
Formal Charge:0
Complexity:286
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 Donor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1.2
Conformer Sampling RMSD:0.6
CID Conformer Count:3

 

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