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81792-13-4 | 9H-Purin-6-amine, 9-(5-bromopentyl)-
CAS No: 81792-13-4 Catalog No: AG0050MC MDL No:
Product Description
Catalog Number:
AG0050MC
Chemical Name:
9H-Purin-6-amine, 9-(5-bromopentyl)-
CAS Number:
81792-13-4
Molecular Formula:
C10H14BrN5
Molecular Weight:
284.1557
IUPAC Name:
9-(5-bromopentyl)purin-6-amine
InChI:
InChI=1S/C10H14BrN5/c11-4-2-1-3-5-16-7-15-8-9(12)13-6-14-10(8)16/h6-7H,1-5H2,(H2,12,13,14)
InChI Key:
DGOAQXCGAWUKOL-UHFFFAOYSA-N
SMILES:
BrCCCCCn1cnc2c1ncnc2N
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.161g/mol
Monoisotopic Mass:
283.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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