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9-Ethyl Adenine

CAT: 0572-TRC-E897175-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E897175-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2715-68-6
Synonyms
9-Ethyladenine; NSC 14580;
Hazard Statement
No Data Available
Smiles
CCn1cnc2c(N)ncnc12
Molecular Formula
C7H9N5
Molecular Weight
163.18
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

9-Ethyladenine

1-Ethyladenine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

CAS Number2715-68-6
PubChem CID7
IUPAC Name9-ethylpurin-6-amine
Molecular FormulaC7H9N5
Molecular Weight163.18
XLogP0.2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
CCN1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10)
InChIKey
MUIPLRMGAXZWSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Ethyladenine
CAS: 2715-68-6
CID: 7
Formula: C7H9N5
MW: 163.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.18
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass163.08579531
Monoisotopic Mass163.08579531
Topological Polar Surface Area69.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
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

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