1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-(methylamino)- 5422-30-0 CAS NO.5422-30-0

Min.Order: 1 Kilogram
Payment Terms: L/C,T/T,

Product Details

Keywords

1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-(methylamino)-
5422-30-0
98%

Quick Details

ProName: 1H-Purine-2,6-dione,3,7-dihydro-1,3,7-...
CasNo: 5422-30-0
Molecular Formula: C9H13 N5 O2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Kilogram
Heavy metal: N/A
Grade: Industrial Grade

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Details

【Name】
1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-(methylamino)-
【Iupac name】
1,3,7-trimethyl-8-(methylamino)purine-2,6-dione
【CAS Registry number】
5422-30-0
【Synonyms】
1,3,7-trimethyl-8-methylamino-purine-2,6-dione
【Molecular Formula】
C9H13 N5 O2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C9H13N5O2/c1-10-8-11-6-5(12(8)2)7(15)14(4)9(16)13(6)3/h1-4H3,(H,10,11)
【Canonical SMILES】
CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C
【MOL File】
5422-30-0.mol
Chemical and Physical Properties
【Density】
1.45g/cm3
【Boiling Point】
414.2°Cat760mmHg
【Refractive Index】
1.678
【Flash Point】
204.3°C
【Computed Properties】
Molecular Weight:223.23182 [g/mol]
Molecular Formula:C9H13N5O2
XLogP3:0.2
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:4
Exact Mass:223.106925
MonoIsotopic Mass:223.106925
Topological Polar Surface Area:70.5
Heavy Atom Count:16
Formal Charge:0
Complexity:334
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:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:1

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