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6975-25-3 | 9H-Purin-6-amine,9-(2-cyclohexen-1-yl)-
CAS No: 6975-25-3 Catalog No: AG005I9C MDL No:
Product Description
Catalog Number:
AG005I9C
Chemical Name:
9H-Purin-6-amine,9-(2-cyclohexen-1-yl)-
CAS Number:
6975-25-3
Molecular Formula:
C11H13N5
Molecular Weight:
215.2544
IUPAC Name:
9-cyclohex-2-en-1-ylpurin-6-amine
InChI:
InChI=1S/C11H13N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h2,4,6-8H,1,3,5H2,(H2,12,13,14)
InChI Key:
IASJUTNOXFGCJB-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1ncn2C1CCCC=C1
NSC Number:
22241
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.26g/mol
Monoisotopic Mass:
215.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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