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1 Gram |
Negotiable |
diethyl-methyl-[3-(phenylcarbamoyloxy)phenyl]azanium 5416-73-9 98%
【Name】
N,N-diethyl-N-methyl-3-[(phenylcarbamoyl)oxy]anilinium
【Iupac name】
diethyl-methyl-[3-(phenylcarbamoyloxy)phenyl]azanium iodide
【CAS Registry number】
5416-73-9
【Synonyms】
NSC11872
NSC-11872
LS-18413
5416-73-9
【Molecular Formula】
C18H23N2O2 (Products with the same molecular formula)
【Molecular Weight】
299.3869
【Inchi】
InChI=1/C18H22N2O2/c1-4-20(3,5-2)16-12-9-13-17(14-16)22-18(21)19-15-10-7-6-8-11-15/h6-14H,4-5H2,1-3H3/p+1
【Canonical SMILES】
CC[N+](C)(CC)C1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2.[I-]
【MOL File】
5416-73-9.mol
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Computed Properties】
Molecular Weight:426.29189 [g/mol]
Molecular Formula:C18H23IN2O2
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:6
Tautomer Count:2
Exact Mass:426.080421
MonoIsotopic Mass:426.080421
Topological Polar Surface Area:38.3
Heavy Atom Count:23
Formal Charge:0
Complexity:349
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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