Products for Research Use Only
RegisterLogin

1,3-Dipropylxanthine

CAT: 0572-TRC-D492450-50MGSize: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-D492450-50MGSize:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
31542-62-8
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCCN1C2N=CNC2C(=O)N(CCC)C1=O
Molecular Formula
C11 H18 N4 O2
Molecular Weight
238.29
InChI
InChI=1S/C11H18N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7-9H,3-6H2,1-2H3,(H,12,13)
Additionnal Information
IUPAC name: 1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1,3-Dipropylxanthine

has high affinity for adenosine receptors; structure given in first source

CAS Number31542-62-8
PubChem CID169317
IUPAC Name1,3-dipropyl-7H-purine-2,6-dione
Molecular FormulaC11H16N4O2
Molecular Weight236.27
XLogP1.9
Topological Polar Surface Area69.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity321
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC=N2
InChI
InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
InChIKey
MJVIGUCNSRXAFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dipropylxanthine
CAS: 31542-62-8
CID: 169317
Formula: C11H16N4O2
MW: 236.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.27
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass236.12732577
Monoisotopic Mass236.12732577
Topological Polar Surface Area69.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
I7188041-Iodopropane-1,1,3,3,3-d5
B6871421-Bromopropane-1,1,3,3,3-d5
TRC-H291015-100MG1,1,1,3,3,3-Hexafluoro-2-methoxypropane
D4166611,3-Propane-1,1,3,3-d4-diamine
TRC-D426150-25G1,1-Dibromo-3,3,3-trifluoroacetone
N5196012-Nitropropane-1,1,1,3,3,3-d6
TRC-H293880-25G1,1,1,3,3,3-Hexafluoro-2-propanol
TRC-H293880-500G1,1,1,3,3,3-Hexafluoro-2-propanol
I7188012-Iodopropane-1,1,1,3,3,3-d6
TRC-D426150-1G1,1-Dibromo-3,3,3-trifluoroacetone

Alternative Products

CatalogName
FD22529-011,3-Dipropylxanthine
D7940-018-CYCLOPENTYL-1,3-DIPROPYLXANTHINE
C8846-038-Cyclopentyl-1,3-dipropylxanthine (DPCPX, PD 116,948)
217150Adenosine A1 Receptor Antagonist I, DPCPX (8-Cyclopentyl-1,3-dipropylxanthine, CPX, PD-116,948)
OR1049906-013,3''''-Dibromo-1,1':3',1'':3'',1''':3''',1''''-quinquephenyl
FH158410-011,1,1,3,3,3-Hexabromoacetone
278680-011,1,1,3,3,3-Hexamethyldisilazane
OR95327-011,1,1,3,3,3-Hexaphenyldisiloxane
OR1008996-011,1,1,3,3,3-Hexaethyldisiloxane
410457-011,1,1,3,3,3-Hexafluoroisopropylamine

Popular Products