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2-[(Acetamidoethyl)triethyl]ammonium iodide 2-(acetylamino)-N,N,N-triethylethanaminium 53207-12-8
Identification and Related Records
【Name】
2-(acetylamino)-N,N,N-triethylethanaminium
【Iupac name】
2-acetamidoethyl(triethyl)azanium iodide
【CAS Registry number】
53207-12-8
【Synonyms】
2-Acetamido-N,N,N-triethylethanaminium iodide
Ethanaminium, 2- (acetylamino)-N,N,N-triethyl-, iodide
ethanaminium, 2-(acetylamino)-N,N,N-triethyl-, iodide (1:1)
【Molecular Formula】
C10H23N2O (Products with the same molecular formula)
【Molecular Weight】
187.3019
【Inchi】
InChI=1/C10H22N2O/c1-5-12(6-2,7-3)9-8-11-10(4)13/h5-9H2,1-4H3/p+1
【Canonical SMILES】
CC[N+](CC)(CC)CCNC(=O)C.[I-]
【MOL File】
53207-12-8.mol
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Computed Properties】
Molecular Weight:314.20689 [g/mol]
Molecular Formula:C10H23IN2O
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:6
Tautomer Count:2
Exact Mass:314.085506
MonoIsotopic Mass:314.085506
Topological Polar Surface Area:29.1
Heavy Atom Count:14
Formal Charge:0
Complexity:145
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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