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130169-66-3 | Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-, sulfate (1:?)
CAS No: 130169-66-3 Catalog No: AG000U2D MDL No:
Product Description
Catalog Number:
AG000U2D
Chemical Name:
Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-, sulfate (1:?)
CAS Number:
130169-66-3
Molecular Formula:
C18H32N2O7S
Molecular Weight:
420.5209
IUPAC Name:
2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid
InChI:
InChI=1S/C18H30N2O3.H2O4S/c1-3-5-9-22-17-14-16(20-7-11-21-12-8-20)18(13-15(17)19)23-10-6-4-2;1-5(2,3)4/h13-14H,3-12,19H2,1-2H3;(H2,1,2,3,4)
InChI Key:
ONLYZWBOMYPZPY-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CCCCOc1cc(N2CCOCC2)c(cc1N)OCCCC
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.193g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
420.521g/mol
Monoisotopic Mass:
420.193g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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