200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 115609-00-2
115609-00-2 | 1,4-Diazabicyclo[2.2.2]octane, 2-phenyl-
CAS No: 115609-00-2 Catalog No: AG000G8E MDL No:MFCD18806179
Product Description
Catalog Number:
AG000G8E
Chemical Name:
1,4-Diazabicyclo[2.2.2]octane, 2-phenyl-
CAS Number:
115609-00-2
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
MDL Number:
MFCD18806179
IUPAC Name:
2-phenyl-1,4-diazabicyclo[2.2.2]octane
InChI:
InChI=1S/C12H16N2/c1-2-4-11(5-3-1)12-10-13-6-8-14(12)9-7-13/h1-5,12H,6-10H2
InChI Key:
FCCQUKLZAKFQEK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1CN2CCN1CC2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.