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10141-50-1 | Benzenamine, 4-ethoxy-, sulfate (1:1)
CAS No: 10141-50-1 Catalog No: AG0004FN MDL No:
Product Description
Catalog Number:
AG0004FN
Chemical Name:
Benzenamine, 4-ethoxy-, sulfate (1:1)
CAS Number:
10141-50-1
Molecular Formula:
C8H13NO5S
Molecular Weight:
235.2575
IUPAC Name:
4-ethoxyaniline;sulfuric acid
InChI:
InChI=1S/C8H11NO.H2O4S/c1-2-10-8-5-3-7(9)4-6-8;1-5(2,3)4/h3-6H,2,9H2,1H3;(H2,1,2,3,4)
InChI Key:
WTUBNNNLFQLMEI-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CCOc1ccc(cc1)N
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.254g/mol
Monoisotopic Mass:
235.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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