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828252-62-6 | Quinoline, 1,2,3,4,6,7,8,8a-octahydro-1-[(1R)-1-phenylethyl]-
CAS No: 828252-62-6 Catalog No: AG004T3H MDL No:
Product Description
Catalog Number:
AG004T3H
Chemical Name:
Quinoline, 1,2,3,4,6,7,8,8a-octahydro-1-[(1R)-1-phenylethyl]-
CAS Number:
828252-62-6
Molecular Formula:
C17H23N
Molecular Weight:
241.3712
IUPAC Name:
1-[(1R)-1-phenylethyl]-3,4,6,7,8,8a-hexahydro-2H-quinoline
InChI:
InChI=1S/C17H23N/c1-14(15-8-3-2-4-9-15)18-13-7-11-16-10-5-6-12-17(16)18/h2-4,8-10,14,17H,5-7,11-13H2,1H3/t14-,17?/m1/s1
InChI Key:
XJBZSBNOHKEMCE-XPCCGILXSA-N
SMILES:
C[C@@H](N1CCCC2=CCCCC12)c1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
241.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.378g/mol
Monoisotopic Mass:
241.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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