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872108-15-1 | 6-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroquinoline
CAS No: 872108-15-1 Catalog No: AG019OU0 MDL No:MFCD07686082
Product Description
Catalog Number:
AG019OU0
Chemical Name:
6-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroquinoline
CAS Number:
872108-15-1
Molecular Formula:
C13H18N2O3S
Molecular Weight:
282.3586
MDL Number:
MFCD07686082
IUPAC Name:
4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
InChI:
InChI=1S/C13H18N2O3S/c16-19(17,15-6-8-18-9-7-15)12-3-4-13-11(10-12)2-1-5-14-13/h3-4,10,14H,1-2,5-9H2
InChI Key:
KAMNGGDTVUTTBV-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc2c(c1)CCCN2)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:
1.1
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