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88875-44-9 | Pyrrolidinium, 1-methyl-1-(2-phenylpropyl)-, iodide
CAS No: 88875-44-9 Catalog No: AG0049MM MDL No:
Product Description
Catalog Number:
AG0049MM
Chemical Name:
Pyrrolidinium, 1-methyl-1-(2-phenylpropyl)-, iodide
CAS Number:
88875-44-9
Molecular Formula:
C14H22IN
Molecular Weight:
331.2357
IUPAC Name:
1-methyl-1-(2-phenylpropyl)pyrrolidin-1-ium;iodide
InChI:
InChI=1S/C14H22N.HI/c1-13(14-8-4-3-5-9-14)12-15(2)10-6-7-11-15;/h3-5,8-9,13H,6-7,10-12H2,1-2H3;1H/q+1;/p-1
InChI Key:
GMZIDSFOZWFMKZ-UHFFFAOYSA-M
SMILES:
CC(c1ccccc1)C[N+]1(C)CCCC1.[I-]
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.241g/mol
Monoisotopic Mass:
331.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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