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N-0861 racemate

CAT: 0931-T12136-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T12136-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
121241-87-0
Target
AChR, Adenosine Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
N-0861 racemate is the racemic mixture of N-0861.
Smiles
N(C1=C2C(N(C)C=N2)=NC=N1)C3C4CC(C3)CC4
Molecular Formula
C13H17N5
Molecular Weight
243.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-0861 racemate
CAS Number121241-87-0
PubChem CID9837708
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-9-methylpurin-6-amine
Molecular FormulaC13H17N5
Molecular Weight243.31
XLogP2.4
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity323
SMILES
CN1C=NC2=C(N=CN=C21)NC3CC4CCC3C4
InChI
InChI=1S/C13H17N5/c1-18-7-16-11-12(14-6-15-13(11)18)17-10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,14,15,17)
InChIKey
MTQYIGCUBBMQCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-0861 racemate
CAS: 121241-87-0
CID: 9837708
Formula: C13H17N5
MW: 243.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.31
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass243.14839556
Monoisotopic Mass243.14839556
Topological Polar Surface Area55.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity323
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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