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Home > Nitro Compounds > 649757-11-9
649757-11-9 | 3,10-Diazabicyclo[4.3.1]decane, 10-methyl-3-(6-nitro-3-isoquinolinyl)-
CAS No: 649757-11-9 Catalog No: AG00H6WR MDL No:
Product Description
Catalog Number:
AG00H6WR
Chemical Name:
3,10-Diazabicyclo[4.3.1]decane, 10-methyl-3-(6-nitro-3-isoquinolinyl)-
CAS Number:
649757-11-9
Molecular Formula:
C18H22N4O2
Molecular Weight:
326.3929
IUPAC Name:
10-methyl-3-(6-nitroisoquinolin-3-yl)-3,10-diazabicyclo[4.3.1]decane
InChI:
InChI=1S/C18H22N4O2/c1-20-15-3-2-4-17(20)12-21(8-7-15)18-10-14-9-16(22(23)24)6-5-13(14)11-19-18/h5-6,9-11,15,17H,2-4,7-8,12H2,1H3
InChI Key:
HCBWUSSEHGZSKK-UHFFFAOYSA-N
SMILES:
CN1C2CCCC1CN(CC2)c1ncc2c(c1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.174g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.4g/mol
Monoisotopic Mass:
326.174g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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