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173474-19-6 | Ethanaminium, N-ethyl-N,N-dimethyl-, acetate (1:1)
CAS No: 173474-19-6 Catalog No: AG001YXS MDL No:
Product Description
Catalog Number:
AG001YXS
Chemical Name:
Ethanaminium, N-ethyl-N,N-dimethyl-, acetate (1:1)
CAS Number:
173474-19-6
Molecular Formula:
C8H19NO2
Molecular Weight:
161.2420
IUPAC Name:
diethyl(dimethyl)azanium;acetate
InChI:
InChI=1S/C6H16N.C2H4O2/c1-5-7(3,4)6-2;1-2(3)4/h5-6H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChI Key:
CTQRLHKLJQNFPU-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C.CC[N+](CC)(C)C
Properties
Complexity:
67.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.142g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.245g/mol
Monoisotopic Mass:
161.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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