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Home > Other Heterocycles > 824982-17-4
824982-17-4 | 3,8-Diazabicyclo[3.2.1]octan-2-one, 8-(phenylmethyl)-
CAS No: 824982-17-4 Catalog No: AG004ZDQ MDL No:
Product Description
Catalog Number:
AG004ZDQ
Chemical Name:
3,8-Diazabicyclo[3.2.1]octan-2-one, 8-(phenylmethyl)-
CAS Number:
824982-17-4
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
8-benzyl-3,8-diazabicyclo[3.2.1]octan-2-one
InChI:
InChI=1S/C13H16N2O/c16-13-12-7-6-11(8-14-13)15(12)9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,14,16)
InChI Key:
VGJXKNHVNVOMFJ-UHFFFAOYSA-N
SMILES:
O=C1NCC2N(C1CC2)Cc1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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