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114112-74-2 | Ethanol, 2-[[3-amino-4-[(2-aminoethyl)amino]phenyl]sulfonyl]-
CAS No: 114112-74-2 Catalog No: AG000ALP MDL No:
Product Description
Catalog Number:
AG000ALP
Chemical Name:
Ethanol, 2-[[3-amino-4-[(2-aminoethyl)amino]phenyl]sulfonyl]-
CAS Number:
114112-74-2
Molecular Formula:
C10H17N3O3S
Molecular Weight:
259.3253
IUPAC Name:
2-[3-amino-4-(2-aminoethylamino)phenyl]sulfonylethanol
InChI:
InChI=1S/C10H17N3O3S/c11-3-4-13-10-2-1-8(7-9(10)12)17(15,16)6-5-14/h1-2,7,13-14H,3-6,11-12H2
InChI Key:
GLTMRJYPSSTTOA-UHFFFAOYSA-N
SMILES:
NCCNc1ccc(cc1N)S(=O)(=O)CCO
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
259.324g/mol
Monoisotopic Mass:
259.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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