8-(aminomethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 5426-57-3 CAS NO.5426-57-3

Min.Order: 1 Gram
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Product Details

Keywords

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

Quick Details

ProName: 8-(aminomethyl)-1,3-dimethyl-3,7-dihyd...
CasNo: 5426-57-3
Molecular Formula: C8H11N5O2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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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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