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Home > Indoles and Oxindole > 113760-34-2
113760-34-2 | 2-Morpholinecarboxamide, N,N-diethyl-6-(1H-indol-4-yl)-4-methyl-, methanesulfonate (9CI)
CAS No: 113760-34-2 Catalog No: AG0009LC MDL No:
Product Description
Catalog Number:
AG0009LC
Chemical Name:
2-Morpholinecarboxamide, N,N-diethyl-6-(1H-indol-4-yl)-4-methyl-, methanesulfonate (9CI)
CAS Number:
113760-34-2
Molecular Formula:
C19H29N3O5S
Molecular Weight:
411.5157
IUPAC Name:
N,N-diethyl-6-(1H-indol-4-yl)-4-methylmorpholine-2-carboxamide;methanesulfonic acid
InChI:
InChI=1S/C18H25N3O2.CH4O3S/c1-4-21(5-2)18(22)17-12-20(3)11-16(23-17)14-7-6-8-15-13(14)9-10-19-15;1-5(2,3)4/h6-10,16-17,19H,4-5,11-12H2,1-3H3;1H3,(H,2,3,4)
InChI Key:
VQJDSAZOYGZGTI-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CCN(C(=O)C1CN(C)CC(O1)c1cccc2c1cc[nH]2)CC
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.183g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
411.517g/mol
Monoisotopic Mass:
411.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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