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1, N6-Ethenoadenine

CAT: 0024-sc-206264CSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-206264CSize:10 mg
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CAS Number
13875-63-3

Chemical Information

N6-Ethenoadenine

1H-imidazo[2,1-i]purine is an imidazo[2,1-i]purine. It has a role as a mutagen. It is functionally related to an adenine. It is a tautomer of a 3H-imidazo[2,1-i]purine.

CAS Number13875-63-3
PubChem CID104994
IUPAC Name1H-imidazo[2,1-f]purine
Molecular FormulaC7H5N5
Molecular Weight159.15
XLogP1
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity185
SMILES
C1=CN2C=NC3=C(C2=N1)NC=N3
InChI
InChI=1S/C7H5N5/c1-2-12-4-11-6-5(7(12)8-1)9-3-10-6/h1-4H,(H,9,10)
InChIKey
OGVOXGPIHFKUGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N6-Ethenoadenine
CAS: 13875-63-3
CID: 104994
Formula: C7H5N5
MW: 159.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.15
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass159.05449518
Monoisotopic Mass159.05449518
Topological Polar Surface Area58.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity185
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
sc-286479N6-Ethenoadenosine
sc-286479AN6-Ethenoadenosine
sc-287273A1,N6-Ethenoadenosine-5'-diphosphate
sc-2872731,N6-Ethenoadenosine-5'-diphosphate
sc-2135531, N6-Ethenoadenosine 5'-monophosphate
sc-265GATA-1 (N6)
sc-265 ACGATA-1 (N6) AC
sc-265 FITCGATA-1 (N6) FITC
sc-265 HRPGATA-1 (N6) HRP
sc-265 PEGATA-1 (N6) PE

Alternative Products

CatalogName
FE08004-01N6-Ethenoadenine
TRC-E678005-25MG1,N6-Ethenoadenine
411530-011, N6-Ethenoadenine
BUP23860-01Nicotinamide 1, N6-ethenoadenine dinucleotide
MBS256452-011, N6- Ethenoadenine (epsilon-Ade)
MBS5820073Nicotinamide 1,N6-ethenoadenine dinucleotide
TRC-N467240-2.5MGa-Nicotinamide-1,N6-ethenoadenine Dinucleotide
TXB-00596-01Nicotinamide 1, N6-ethenoadenine dinucleotide sodium
HY-137592ANicotinamide 1, N6-ethenoadenine dinucleotide (sodium)
296356-01Nicotinamide 1, N6-ethenoadenine dinucleotide discontinued. See 018094

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