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156126-48-6 | 1-Butanaminium, N,N,N-tributyl-, salt with 6-iodo-9H-purin-2-amine (1:1)
CAS No: 156126-48-6 Catalog No: AG001OIX MDL No:
Product Description
Catalog Number:
AG001OIX
Chemical Name:
1-Butanaminium, N,N,N-tributyl-, salt with 6-iodo-9H-purin-2-amine (1:1)
CAS Number:
156126-48-6
Molecular Formula:
C21H39IN6
Molecular Weight:
502.4790
IUPAC Name:
6-iodopurin-9-id-2-amine;tetrabutylazanium
InChI:
InChI=1S/C16H36N.C5H3IN5/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;6-3-2-4(9-1-8-2)11-5(7)10-3/h5-16H2,1-4H3;1H,(H2-,7,8,9,10,11)/q+1;-1
InChI Key:
ULQTXQCQROFQIE-UHFFFAOYSA-N
SMILES:
[NH-]c1nc2ncnc2c([nH]1)I.CCCC[N+](CCCC)(CCCC)CCCC
EC Number:
424-710-9
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.228g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
502.489g/mol
Monoisotopic Mass:
502.228g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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