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79643-58-6 | 9-methyl-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinoline
CAS No: 79643-58-6 Catalog No: AG0057LO MDL No:
Product Description
Catalog Number:
AG0057LO
Chemical Name:
9-methyl-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinoline
CAS Number:
79643-58-6
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
InChI:
InChI=1S/C13H17N/c1-10-8-11-4-2-6-14-7-3-5-12(9-10)13(11)14/h8-9H,2-7H2,1H3
InChI Key:
QZTWYOTURUWJLW-UHFFFAOYSA-N
SMILES:
Cc1cc2CCCN3c2c(c1)CCC3
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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