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102571-24-4 | 2-Propanaminium, N-[2-(3,3-diphenylpropoxy)ethyl]-N-methyl-N-(1-methylethyl)-, iodide (1:1)
CAS No: 102571-24-4 Catalog No: AG0007RU MDL No:
Product Description
Catalog Number:
AG0007RU
Chemical Name:
2-Propanaminium, N-[2-(3,3-diphenylpropoxy)ethyl]-N-methyl-N-(1-methylethyl)-, iodide (1:1)
CAS Number:
102571-24-4
Molecular Formula:
C24H36INO
Molecular Weight:
481.4532
IUPAC Name:
2-(3,3-diphenylpropoxy)ethyl-methyl-di(propan-2-yl)azanium;iodide
InChI:
InChI=1S/C24H36NO.HI/c1-20(2)25(5,21(3)4)17-19-26-18-16-24(22-12-8-6-9-13-22)23-14-10-7-11-15-23;/h6-15,20-21,24H,16-19H2,1-5H3;1H/q+1;/p-1
InChI Key:
QHGIPKXRRAGDMI-UHFFFAOYSA-M
SMILES:
CC([N+](C(C)C)(CCOCCC(c1ccccc1)c1ccccc1)C)C.[I-]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.184g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
481.462g/mol
Monoisotopic Mass:
481.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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