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102280-70-6 | Pyrrolidinium, 1,1'-[1,2-ethanediylbis[(2-methyl-1,3-dioxolane-2,4-diyl)methylene]]bis[1-methyl-, diiodide (9CI)
CAS No: 102280-70-6 Catalog No: AG00073C MDL No:
Product Description
Catalog Number:
AG00073C
Chemical Name:
Pyrrolidinium, 1,1'-[1,2-ethanediylbis[(2-methyl-1,3-dioxolane-2,4-diyl)methylene]]bis[1-methyl-, diiodide (9CI)
CAS Number:
102280-70-6
Molecular Formula:
C22H42I2N2O4
Molecular Weight:
652.3888
IUPAC Name:
1-methyl-1-[[2-[2-[2-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]pyrrolidin-1-ium;diiodide
InChI:
InChI=1S/C21H40N2O4.2HI/c1-21(25-17-19(27-21)15-23(3)12-6-7-13-23)9-8-20-24-16-18(26-20)14-22(2)10-4-5-11-22;;/h18-20H,4-17H2,1-3H3;2*1H/q+2;;/p-2
InChI Key:
GZCQNKDYXZMXGP-UHFFFAOYSA-L
SMILES:
C[N+]1(CCCC1)CC1COC(O1)(C)CCC1(C)OCC(O1)C[N+]1(C)CCCC1.[I-].[I-]
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
638.108g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
638.37g/mol
Monoisotopic Mass:
638.108g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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