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155303-18-7 | 1-Naphthalenesulfonic acid, 5-[[2-[bis(2-aminoethyl)amino]ethyl]amino]-
CAS No: 155303-18-7 Catalog No: AG001NTY MDL No:
Product Description
Catalog Number:
AG001NTY
Chemical Name:
1-Naphthalenesulfonic acid, 5-[[2-[bis(2-aminoethyl)amino]ethyl]amino]-
CAS Number:
155303-18-7
Molecular Formula:
C16H24N4O3S
Molecular Weight:
352.4518
IUPAC Name:
5-[2-[bis(2-aminoethyl)amino]ethylamino]naphthalene-1-sulfonic acid
InChI:
InChI=1S/C16H24N4O3S/c17-7-10-20(11-8-18)12-9-19-15-5-1-4-14-13(15)3-2-6-16(14)24(21,22)23/h1-6,19H,7-12,17-18H2,(H,21,22,23)
InChI Key:
PQICMZJEWAAXTI-UHFFFAOYSA-N
SMILES:
NCCN(CCNc1cccc2c1cccc2S(=O)(=O)O)CCN
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.157g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
352.453g/mol
Monoisotopic Mass:
352.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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