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1018-34-4

1018-34-4 | Pyrrolidinium, 1,1-dimethyl-2-[[2-(trimethylammonio)ethoxy]carbonyl]-, iodide (1:2)

CAS No: 1018-34-4 Catalog No: AG0005LQ MDL No:

Product Description

Catalog Number:
AG0005LQ
Chemical Name:
Pyrrolidinium, 1,1-dimethyl-2-[[2-(trimethylammonio)ethoxy]carbonyl]-, iodide (1:2)
CAS Number:
1018-34-4
Molecular Formula:
C12H26I2N2O2
Molecular Weight:
484.1560
IUPAC Name:
2-(1,1-dimethylpyrrolidin-1-ium-2-carbonyl)oxyethyl-trimethylazanium;diiodide
InChI:
InChI=1S/C12H26N2O2.2HI/c1-13(2,3)9-10-16-12(15)11-7-6-8-14(11,4)5;;/h11H,6-10H2,1-5H3;2*1H/q+2;;/p-2
InChI Key:
CODSEWNHIHYVHK-UHFFFAOYSA-L
SMILES:
O=C(C1CCC[N+]1(C)C)OCC[N+](C)(C)C.[I-].[I-]

Properties

Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.008g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
484.161g/mol
Monoisotopic Mass:
484.008g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Agrobacterium proteins VirD2 and VirE2 mediate precise integration of synthetic T-DNA complexes in mammalian cells. EMBO reports 20040601

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