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22917-80-2 | 9H-Purin-6-amine, 9,9'-(1,2-ethanediyl)bis-
CAS No: 22917-80-2 Catalog No: AG002LI7 MDL No:
Product Description
Catalog Number:
AG002LI7
Chemical Name:
9H-Purin-6-amine, 9,9'-(1,2-ethanediyl)bis-
CAS Number:
22917-80-2
Molecular Formula:
C12H12N10
Molecular Weight:
296.2907
IUPAC Name:
9-[2-(6-aminopurin-9-yl)ethyl]purin-6-amine
InChI:
InChI=1S/C12H12N10/c13-9-7-11(17-3-15-9)21(5-19-7)1-2-22-6-20-8-10(14)16-4-18-12(8)22/h3-6H,1-2H2,(H2,13,15,17)(H2,14,16,18)
InChI Key:
JQFWMNQRWVBYAF-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1ncn2CCn1cnc2c1ncnc2N
NSC Number:
98761
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.298g/mol
Monoisotopic Mass:
296.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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