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3-Ethyl-adenine

CAT: 0572-TRC-E677515-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E677515-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
43003-87-8
Synonyms
3-Ethyl-3H-purin-6-amine; 3-Ethyl-adenine (7CI); 3-Ethyl-3H-purin-6-amine; 3-N-Ethyladenine; N3-Ethyladenine
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCn1cnc(N)c2ncnc12
Molecular Formula
C7 H9 N5
Molecular Weight
163.18
InChI
InChI=1S/C7H9N5/c1-2-12-4-11-6(8)5-7(12)10-3-9-5/h3-4H,2,8H2,1H3
Additionnal Information
IUPAC name: 3-ethylpurin-6-amine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Ethyladenine
CAS Number43003-87-8
PubChem CID135435067
IUPAC Name3-ethyl-7H-purin-6-imine
Molecular FormulaC7H9N5
Molecular Weight163.18
XLogP0.2
Topological Polar Surface Area68.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity224
SMILES
CCN1C=NC(=N)C2=C1N=CN2
InChI
InChI=1S/C7H9N5/c1-2-12-4-11-6(8)5-7(12)10-3-9-5/h3-4,8H,2H2,1H3,(H,9,10)
InChIKey
XAZTXNQITCBSCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethyladenine
CAS: 43003-87-8
CID: 135435067
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 Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass163.08579531
Monoisotopic Mass163.08579531
Topological Polar Surface Area68.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity224
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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