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88390-01-6 | Ethanaminium, N,N,N-trimethyl-2-oxo-2-(phenylmethoxy)-, bromide
CAS No: 88390-01-6 Catalog No: AG004LJ6 MDL No:
Product Description
Catalog Number:
AG004LJ6
Chemical Name:
Ethanaminium, N,N,N-trimethyl-2-oxo-2-(phenylmethoxy)-, bromide
CAS Number:
88390-01-6
Molecular Formula:
C12H18BrNO2
Molecular Weight:
288.1808
IUPAC Name:
trimethyl-(2-oxo-2-phenylmethoxyethyl)azanium;bromide
InChI:
InChI=1S/C12H18NO2.BrH/c1-13(2,3)9-12(14)15-10-11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1
InChI Key:
ABWCCVSEYCOCQH-UHFFFAOYSA-M
SMILES:
O=C(C[N+](C)(C)C)OCc1ccccc1.[Br-]
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.185g/mol
Monoisotopic Mass:
287.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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