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121683-05-4 | 9H-Purin-6-amine, 9-[4-(phenylmethoxy)butyl]-
CAS No: 121683-05-4 Catalog No: AG0015JW MDL No:
Product Description
Catalog Number:
AG0015JW
Chemical Name:
9H-Purin-6-amine, 9-[4-(phenylmethoxy)butyl]-
CAS Number:
121683-05-4
Molecular Formula:
C16H19N5O
Molecular Weight:
297.3550
IUPAC Name:
9-(4-phenylmethoxybutyl)purin-6-amine
InChI:
InChI=1S/C16H19N5O/c17-15-14-16(19-11-18-15)21(12-20-14)8-4-5-9-22-10-13-6-2-1-3-7-13/h1-3,6-7,11-12H,4-5,8-10H2,(H2,17,18,19)
InChI Key:
MFSPSVOVGFGRSQ-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1ncn2CCCCOCc1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.159g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.362g/mol
Monoisotopic Mass:
297.159g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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