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102571-22-2 | 2-Propanaminium, N-[2-(2,2-diphenylethoxy)ethyl]-N-methyl-N-(1-methylethyl)-, iodide (1:1)
CAS No: 102571-22-2 Catalog No: AG0007RW MDL No:
Product Description
Catalog Number:
AG0007RW
Chemical Name:
2-Propanaminium, N-[2-(2,2-diphenylethoxy)ethyl]-N-methyl-N-(1-methylethyl)-, iodide (1:1)
CAS Number:
102571-22-2
Molecular Formula:
C23H34INO
Molecular Weight:
467.4266
IUPAC Name:
2-(2,2-diphenylethoxy)ethyl-methyl-di(propan-2-yl)azanium;iodide
InChI:
InChI=1S/C23H34NO.HI/c1-19(2)24(5,20(3)4)16-17-25-18-23(21-12-8-6-9-13-21)22-14-10-7-11-15-22;/h6-15,19-20,23H,16-18H2,1-5H3;1H/q+1;/p-1
InChI Key:
HVLOTLVKYOIRSA-UHFFFAOYSA-M
SMILES:
CC([N+](C(C)C)(CCOCC(c1ccccc1)c1ccccc1)C)C.[I-]
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.169g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
467.435g/mol
Monoisotopic Mass:
467.169g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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