200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 34985-57-4
34985-57-4 | 1,4-Diazabicyclo[2.2.2]Octane Tosilate
CAS No: 34985-57-4 Catalog No: AG00I6XI MDL No:MFCD28991719
Product Description
Catalog Number:
AG00I6XI
Chemical Name:
1,4-Diazabicyclo[2.2.2]Octane Tosilate
CAS Number:
34985-57-4
Molecular Formula:
C13H20N2O3S
Molecular Weight:
284.3745
MDL Number:
MFCD28991719
IUPAC Name:
1,4-diazabicyclo[2.2.2]octane;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H8O3S.C6H12N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-8-5-3-7(1)4-6-8/h2-5H,1H3,(H,8,9,10);1-6H2
InChI Key:
FMQZSJVCHOHXQH-UHFFFAOYSA-N
SMILES:
C1CN2CCN1CC2.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.119g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.374g/mol
Monoisotopic Mass:
284.119g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.