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13223-03-5 | Ethanaminium, N-ethyl-N,N-dimethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, ethyl sulfate (1:1)
CAS No: 13223-03-5 Catalog No: AG0010FI MDL No:
Product Description
Catalog Number:
AG0010FI
Chemical Name:
Ethanaminium, N-ethyl-N,N-dimethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, ethyl sulfate (1:1)
CAS Number:
13223-03-5
Molecular Formula:
C12H25NO6S
Molecular Weight:
311.3950
IUPAC Name:
ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;ethyl sulfate
InChI:
InChI=1S/C10H20NO2.C2H6O4S/c1-6-11(4,5)7-8-13-10(12)9(2)3;1-2-6-7(3,4)5/h2,6-8H2,1,3-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
QUUVXPUXYIWGHA-UHFFFAOYSA-M
SMILES:
CC[N+](CCOC(=O)C(=C)C)(C)C.CCOS(=O)(=O)[O-]
EC Number:
236-195-6
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.14g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.393g/mol
Monoisotopic Mass:
311.14g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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