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198-60-7 | Benzo[1,2,3-de:4,5,6-d'e']diisoquinoline (8CI,9CI)
CAS No: 198-60-7 Catalog No: AG002B8H MDL No:
Product Description
Catalog Number:
AG002B8H
Chemical Name:
Benzo[1,2,3-de:4,5,6-d'e']diisoquinoline (8CI,9CI)
CAS Number:
198-60-7
Molecular Formula:
C18H30N2
Molecular Weight:
274.4442
IUPAC Name:
4,13-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosane
InChI:
InChI=1S/C18H30N2/c1-3-11-7-19-10-16-14-6-2-4-12-8-20-9-15(18(12)14)13(5-1)17(11)16/h11-20H,1-10H2
InChI Key:
IOEGNSPHYYIXPH-UHFFFAOYSA-N
SMILES:
c1cc2cncc3c2c(c1)c1cncc2c1c3ccc2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.241g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.452g/mol
Monoisotopic Mass:
274.241g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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