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145832-36-6 | Benzenemethanaminium, 2-[(acetyloxy)methyl]-N,N,N-trimethyl-, iodide (1:1)
CAS No: 145832-36-6 Catalog No: AG001DFL MDL No:
Product Description
Catalog Number:
AG001DFL
Chemical Name:
Benzenemethanaminium, 2-[(acetyloxy)methyl]-N,N,N-trimethyl-, iodide (1:1)
CAS Number:
145832-36-6
Molecular Formula:
C13H20INO2
Molecular Weight:
349.2079
IUPAC Name:
[2-(acetyloxymethyl)phenyl]methyl-trimethylazanium
InChI:
InChI=1S/C13H20NO2/c1-11(15)16-10-13-8-6-5-7-12(13)9-14(2,3)4/h5-8H,9-10H2,1-4H3/q+1
InChI Key:
UBZYVWVVDOZXEP-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1ccccc1C[N+](C)(C)C.[I-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.149g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.308g/mol
Monoisotopic Mass:
222.149g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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