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20347-56-2 | Benzenaminium, N,N,N,2-tetramethyl-4-[[(methylamino)carbonyl]oxy]-5-(1-methylethyl)-, iodide (1:1)
CAS No: 20347-56-2 Catalog No: AG0028X1 MDL No:
Product Description
Catalog Number:
AG0028X1
Chemical Name:
Benzenaminium, N,N,N,2-tetramethyl-4-[[(methylamino)carbonyl]oxy]-5-(1-methylethyl)-, iodide (1:1)
CAS Number:
20347-56-2
Molecular Formula:
C15H25IN2O2
Molecular Weight:
392.2757
IUPAC Name:
trimethyl-[2-methyl-4-(methylcarbamoyloxy)-5-propan-2-ylphenyl]azanium;iodide
InChI:
InChI=1S/C15H24N2O2.HI/c1-10(2)12-9-13(17(5,6)7)11(3)8-14(12)19-15(18)16-4;/h8-10H,1-7H3;1H
InChI Key:
BYQKKYSINXQDEZ-UHFFFAOYSA-N
SMILES:
CNC(=O)Oc1cc(C)c(cc1C(C)C)[N+](C)(C)C.[I-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.281g/mol
Monoisotopic Mass:
392.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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