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Home > Other Heterocycles > 1049874-66-9
1049874-66-9 | 3-benzyl-3,9-diazabicyclo[3.3.2]decane
CAS No: 1049874-66-9 Catalog No: AG019UZ8 MDL No:
Product Description
Catalog Number:
AG019UZ8
Chemical Name:
3-benzyl-3,9-diazabicyclo[3.3.2]decane
CAS Number:
1049874-66-9
Molecular Formula:
C15H22N2
Molecular Weight:
230.3486
IUPAC Name:
3-benzyl-3,9-diazabicyclo[3.3.2]decane
InChI:
InChI=1S/C15H22N2/c1-2-5-13(6-3-1)10-17-11-14-7-4-8-15(12-17)16-9-14/h1-3,5-6,14-16H,4,7-12H2
InChI Key:
JDYIDFQYKVUYEK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CC2CCCC(C1)CN2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.355g/mol
Monoisotopic Mass:
230.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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