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87519-82-2 | Pyrrolo[2,1-a]isoquinoline, 1,2,3,5,6,10b-hexahydro-6-phenyl-, cis-
CAS No: 87519-82-2 Catalog No: AG004DJ8 MDL No:
Product Description
Catalog Number:
AG004DJ8
Chemical Name:
Pyrrolo[2,1-a]isoquinoline, 1,2,3,5,6,10b-hexahydro-6-phenyl-, cis-
CAS Number:
87519-82-2
Molecular Formula:
C18H19N
Molecular Weight:
249.3502
IUPAC Name:
(6S,10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
InChI:
InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17-,18-/m0/s1
InChI Key:
KJHWRRVSXANANB-ROUUACIJSA-N
SMILES:
c1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2c1cccc2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
249.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.357g/mol
Monoisotopic Mass:
249.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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