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84133-10-8 | 1H-Purin-6-amine, 8-butyl-
CAS No: 84133-10-8 Catalog No: AG004SHP MDL No:
Product Description
Catalog Number:
AG004SHP
Chemical Name:
1H-Purin-6-amine, 8-butyl-
CAS Number:
84133-10-8
Molecular Formula:
C9H13N5
Molecular Weight:
191.2330
IUPAC Name:
8-butyl-7H-purin-6-amine
InChI:
InChI=1S/C9H13N5/c1-2-3-4-6-13-7-8(10)11-5-12-9(7)14-6/h5H,2-4H2,1H3,(H3,10,11,12,13,14)
InChI Key:
QINOKJIJVANRAY-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c(n1)c(N)[nH]cn2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.117g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.238g/mol
Monoisotopic Mass:
191.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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