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23142-12-3 | 1H-Purin-6-amine, 1-propyl-
CAS No: 23142-12-3 Catalog No: AG002MBY MDL No:
Product Description
Catalog Number:
AG002MBY
Chemical Name:
1H-Purin-6-amine, 1-propyl-
CAS Number:
23142-12-3
Molecular Formula:
C8H11N5
Molecular Weight:
177.2064
IUPAC Name:
1-propyl-7H-purin-6-imine
InChI:
InChI=1S/C8H11N5/c1-2-3-13-5-12-8-6(7(13)9)10-4-11-8/h4-5,9H,2-3H2,1H3,(H,10,11)
InChI Key:
VIANEFSGLRJBCS-UHFFFAOYSA-N
SMILES:
CCCn1cnc2c(c1N)ncn2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.211g/mol
Monoisotopic Mass:
177.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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