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200064-95-5 | 3,1-Benzazasilinium, 3-(2-ethoxy-2-oxoethyl)-1,2,3,4-tetrahydro-1,1,3-trimethyl-, iodide (1:1)
CAS No: 200064-95-5 Catalog No: AG002CIC MDL No:
Product Description
Catalog Number:
AG002CIC
Chemical Name:
3,1-Benzazasilinium, 3-(2-ethoxy-2-oxoethyl)-1,2,3,4-tetrahydro-1,1,3-trimethyl-, iodide (1:1)
CAS Number:
200064-95-5
Molecular Formula:
C15H24INO2Si
Molecular Weight:
405.3465
IUPAC Name:
ethyl 2-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)acetate;iodide
InChI:
InChI=1S/C15H24NO2Si.HI/c1-5-18-15(17)11-16(2)10-13-8-6-7-9-14(13)19(3,4)12-16;/h6-9H,5,10-12H2,1-4H3;1H/q+1;/p-1
InChI Key:
IQGXVZFDBDJCOQ-UHFFFAOYSA-M
SMILES:
CCOC(=O)C[N+]1(C)Cc2ccccc2[Si](C1)(C)C.[I-]
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.351g/mol
Monoisotopic Mass:
405.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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