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820216-40-8 | 1-Octanesulfonic acid, 3-[(2R)-2-aminopropyl]-1H-indol-7-yl ester
CAS No: 820216-40-8 Catalog No: AG004YFW MDL No:
Product Description
Catalog Number:
AG004YFW
Chemical Name:
1-Octanesulfonic acid, 3-[(2R)-2-aminopropyl]-1H-indol-7-yl ester
CAS Number:
820216-40-8
Molecular Formula:
C19H30N2O3S
Molecular Weight:
366.5181
IUPAC Name:
[3-[(2R)-2-aminopropyl]-1H-indol-7-yl] octane-1-sulfonate
InChI:
InChI=1S/C19H30N2O3S/c1-3-4-5-6-7-8-12-25(22,23)24-18-11-9-10-17-16(13-15(2)20)14-21-19(17)18/h9-11,14-15,21H,3-8,12-13,20H2,1-2H3/t15-/m1/s1
InChI Key:
FIHBDABFGKPSKY-OAHLLOKOSA-N
SMILES:
CCCCCCCCS(=O)(=O)Oc1cccc2c1[nH]cc2C[C@H](N)C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
366.198g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.52g/mol
Monoisotopic Mass:
366.198g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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