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17448-22-5 | Pyrrolo[2,1-a]isoquinoline, 1,2,3,5,6,10b-hexahydro-10b-phenyl-
CAS No: 17448-22-5 Catalog No: AG001ZOX MDL No:
Product Description
Catalog Number:
AG001ZOX
Chemical Name:
Pyrrolo[2,1-a]isoquinoline, 1,2,3,5,6,10b-hexahydro-10b-phenyl-
CAS Number:
17448-22-5
Molecular Formula:
C18H19N
Molecular Weight:
249.3502
IUPAC Name:
10b-phenyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline
InChI:
InChI=1S/C18H19N/c1-2-8-16(9-3-1)18-12-6-13-19(18)14-11-15-7-4-5-10-17(15)18/h1-5,7-10H,6,11-14H2
InChI Key:
XKOIOWGAAMZIJL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C12CCCN1CCc1c2cccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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