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76412-61-8 | 3-BUTYLADENINE
CAS No: 76412-61-8 Catalog No: AG005CB9 MDL No:MFCD20695376
Product Description
Catalog Number:
AG005CB9
Chemical Name:
3-BUTYLADENINE
CAS Number:
76412-61-8
Molecular Formula:
C9H13N5
Molecular Weight:
191.2330
MDL Number:
MFCD20695376
IUPAC Name:
3-butyl-7H-purin-6-imine
InChI:
InChI=1S/C9H13N5/c1-2-3-4-14-6-13-8(10)7-9(14)12-5-11-7/h5-6,10H,2-4H2,1H3,(H,11,12)
InChI Key:
XUUSCYDENQIJSX-UHFFFAOYSA-N
SMILES:
CCCCn1cnc(c2c1ncn2)N
Properties
Complexity:
250
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:
2
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:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| 3-Substituted adenines. In vitro enzyme inhibition and antiviral activity. | Journal of medicinal chemistry 19790201 |
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