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100984-01-8 | 1-Propanol, 3-[[4-amino-2-[(2-hydroxyethyl)sulfonyl]phenyl]amino]-
CAS No: 100984-01-8 Catalog No: AG0003DS MDL No:
Product Description
Catalog Number:
AG0003DS
Chemical Name:
1-Propanol, 3-[[4-amino-2-[(2-hydroxyethyl)sulfonyl]phenyl]amino]-
CAS Number:
100984-01-8
Molecular Formula:
C11H18N2O4S
Molecular Weight:
274.3366
IUPAC Name:
3-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]propan-1-ol
InChI:
InChI=1S/C11H18N2O4S/c12-9-2-3-10(13-4-1-5-14)11(8-9)18(16,17)7-6-15/h2-3,8,13-15H,1,4-7,12H2
InChI Key:
XEBDYNJULYACAP-UHFFFAOYSA-N
SMILES:
OCCCNc1ccc(cc1S(=O)(=O)CCO)N
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.335g/mol
Monoisotopic Mass:
274.099g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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