200,000+ products from a single source!
sales@angenechem.com
105098-65-5 | Piperidinium,1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-hydroxy-2,1-ethanediyl)]bis[1,4-dimethyl-,diiodide (9CI)
CAS No: 105098-65-5 Catalog No: AG007FNN MDL No:
Product Description
Catalog Number:
AG007FNN
Chemical Name:
Piperidinium,1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-hydroxy-2,1-ethanediyl)]bis[1,4-dimethyl-,diiodide (9CI)
CAS Number:
105098-65-5
Molecular Formula:
C30H46I2N2O2
Molecular Weight:
720.5074
IUPAC Name:
2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-hydroxyethyl]phenyl]phenyl]ethanol;diiodide
InChI:
InChI=1S/C30H46N2O2.2HI/c1-23-13-17-31(3,18-14-23)21-29(33)27-9-5-25(6-10-27)26-7-11-28(12-8-26)30(34)22-32(4)19-15-24(2)16-20-32;;/h5-12,23-24,29-30,33-34H,13-22H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
XWBHHHNTKSWNRM-UHFFFAOYSA-L
SMILES:
OC(c1ccc(cc1)c1ccc(cc1)C(C[N+]1(C)CCC(CC1)C)O)C[N+]1(C)CCC(CC1)C.[I-].[I-]
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
720.165g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
720.519g/mol
Monoisotopic Mass:
720.165g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.