Home Other Building Blocks Pyrrolidinium,3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethyl-, iodide (1:1)

Pyrrolidinium,3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethyl-, iodide (1:1)

CAS No.:
873295-32-0
Catalog Number:
AG008E9H
Molecular Formula:
C19H28INO3
Molecular Weight:
445.3350
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Product Description
Catalog Number:
AG008E9H
Chemical Name:
Pyrrolidinium,3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethyl-, iodide (1:1)
CAS Number:
873295-32-0
Molecular Formula:
C19H28INO3
Molecular Weight:
445.3350
MDL Number:
MFCD09952213
IUPAC Name:
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;iodide
InChI:
InChI=1S/C19H28NO3.HI/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
InChI Key:
MDXIQDYNAVSOAZ-UHFFFAOYSA-M
SMILES:
O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C.[I-]
Properties
Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.111g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
445.341g/mol
Monoisotopic Mass:
445.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties