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1-Propanaminium,N,N,N-trimethyl-2-oxo-, chloride (1:1) 54541-46-7 98%
【Name】
1-Propanaminium,N,N,N-trimethyl-2-oxo-, chloride (1:1)
【Iupac name】
trimethyl(2-oxopropyl)azanium chloride
【CAS Registry number】
54541-46-7
【Synonyms】
1-Propanaminium,N,N,N-trimethyl-2-oxo-, chloride (9CI)
Acetonyltrimethylammonium chloride(7CI)
【Molecular Formula】
C6H14ClNO (Products with the same molecular formula)
【Molecular Weight】
116.1809
【Inchi】
InChI=1S/C6H14NO.ClH/c1-6(8)5-7(2,3)4;/h5H2,1-4H3;1H/q+1;/p-1
【Canonical SMILES】
CC(=O)C[N+](C)(C)C.[Cl-]
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Computed Properties】
Molecular Weight:151.63446 [g/mol]
Molecular Formula:C6H14ClNO
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:151.076392
MonoIsotopic Mass:151.076392
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Formal Charge:0
Complexity:91.2
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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