200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 85631-97-6
85631-97-6 | 2-OXA-6,8-DIAZABICYCLO[3.2.2]NONANE
CAS No: 85631-97-6 Catalog No: AG004TNE MDL No:
Product Description
Catalog Number:
AG004TNE
Chemical Name:
2-OXA-6,8-DIAZABICYCLO[3.2.2]NONANE
CAS Number:
85631-97-6
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
IUPAC Name:
2-oxa-6,8-diazabicyclo[3.2.2]nonane
InChI:
InChI=1S/C6H12N2O/c1-2-9-6-4-7-5(1)3-8-6/h5-8H,1-4H2
InChI Key:
MKUYTWGUOPUKJJ-UHFFFAOYSA-N
SMILES:
C1CC2NCC(O1)NC2
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.175g/mol
Monoisotopic Mass:
128.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Related Products
© 2019 Angene International Limited. All rights Reserved.