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185059-05-6 | 7-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 185059-05-6 Catalog No: AG01AJ5E MDL No:MFCD11580694
Product Description
Catalog Number:
AG01AJ5E
Chemical Name:
7-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
185059-05-6
Molecular Formula:
C13H18N2O3S
Molecular Weight:
282.3586
MDL Number:
MFCD11580694
IUPAC Name:
4-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)morpholine
InChI:
InChI=1S/C13H18N2O3S/c16-19(17,15-5-7-18-8-6-15)13-2-1-11-3-4-14-10-12(11)9-13/h1-2,9,14H,3-8,10H2
InChI Key:
QTHZOTBJKWLROX-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc2c(c1)CNCC2)N1CCOCC1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.358g/mol
Monoisotopic Mass:
282.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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