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830331-60-7 | 9H-Purin-2-amine, 9-(4-piperidinyl)-
CAS No: 830331-60-7 Catalog No: AG004XV2 MDL No:
Product Description
Catalog Number:
AG004XV2
Chemical Name:
9H-Purin-2-amine, 9-(4-piperidinyl)-
CAS Number:
830331-60-7
Molecular Formula:
C10H14N6
Molecular Weight:
218.2584
IUPAC Name:
9-piperidin-4-ylpurin-2-amine
InChI:
InChI=1S/C10H14N6/c11-10-13-5-8-9(15-10)16(6-14-8)7-1-3-12-4-2-7/h5-7,12H,1-4H2,(H2,11,13,15)
InChI Key:
VRDMOHZBDAHJRY-UHFFFAOYSA-N
SMILES:
Nc1ncc2c(n1)n(cn2)C1CCNCC1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.128g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.264g/mol
Monoisotopic Mass:
218.128g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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