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17349-56-3 | Ethanaminium, N,N,N-trimethyl-2-(3-methylphenoxy)-, bromide (1:1)
CAS No: 17349-56-3 Catalog No: AG001YYQ MDL No:
Product Description
Catalog Number:
AG001YYQ
Chemical Name:
Ethanaminium, N,N,N-trimethyl-2-(3-methylphenoxy)-, bromide (1:1)
CAS Number:
17349-56-3
Molecular Formula:
C12H20BrNO
Molecular Weight:
274.1973
IUPAC Name:
trimethyl-[2-(3-methylphenoxy)ethyl]azanium;bromide
InChI:
InChI=1S/C12H20NO.BrH/c1-11-6-5-7-12(10-11)14-9-8-13(2,3)4;/h5-7,10H,8-9H2,1-4H3;1H/q+1;/p-1
InChI Key:
CKFSRACSYKSTBK-UHFFFAOYSA-M
SMILES:
Cc1cccc(c1)OCC[N+](C)(C)C.[Br-]
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.202g/mol
Monoisotopic Mass:
273.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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