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146293-11-0

146293-11-0 | Phosphonium, [[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]methyl]triphenyl-, iodide (1:1)

CAS No: 146293-11-0 Catalog No: AG001DUO MDL No:MFCD20271861

Product Description

Catalog Number:
AG001DUO
Chemical Name:
Phosphonium, [[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]methyl]triphenyl-, iodide (1:1)
CAS Number:
146293-11-0
Molecular Formula:
C29H35INO2P
Molecular Weight:
587.4719
MDL Number:
MFCD20271861
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium;iodide
InChI:
InChI=1S/C29H35NO2P.HI/c1-29(2,3)32-28(31)30-21-19-24(20-22-30)23-33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27;/h4-18,24H,19-23H2,1-3H3;1H/q+1;/p-1
InChI Key:
SXFMQELZEAFAKI-UHFFFAOYSA-M
SMILES:
O=C(N1CCC(CC1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC(C)(C)C.[I-]

Properties

Complexity:
558  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
587.145g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
587.482g/mol
Monoisotopic Mass:
587.145g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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