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29401-55-6 | 3,6,9,12-Tetraazatriacontanesulfonic acid
CAS No: 29401-55-6 Catalog No: AG002Y9N MDL No:
Product Description
Catalog Number:
AG002Y9N
Chemical Name:
3,6,9,12-Tetraazatriacontanesulfonic acid
CAS Number:
29401-55-6
Molecular Formula:
C26H58N4O3S
Molecular Weight:
506.8287
IUPAC Name:
2-[2-[2-[2-(octadecylamino)ethylamino]ethylamino]ethylamino]ethanesulfonic acid
InChI:
InChI=1S/C26H58N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-19-20-28-21-22-29-23-24-30-25-26-34(31,32)33/h27-30H,2-26H2,1H3,(H,31,32,33)
InChI Key:
ZBLNQBZJQTZQRN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNCCNCCNCCNCCS(=O)(=O)O
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.423g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
506.835g/mol
Monoisotopic Mass:
506.423g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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