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76584-54-8 | Ethanaminium,2-(2-bromoethoxy)-N,N,N-trimethyl-
CAS No: 76584-54-8 Catalog No: AG005KC9 MDL No:
Product Description
Catalog Number:
AG005KC9
Chemical Name:
Ethanaminium,2-(2-bromoethoxy)-N,N,N-trimethyl-
CAS Number:
76584-54-8
Molecular Formula:
C7H17BrNO+
Molecular Weight:
211.1200
IUPAC Name:
2-(2-bromoethoxy)ethyl-trimethylazanium
InChI:
InChI=1S/C7H17BrNO/c1-9(2,3)5-7-10-6-4-8/h4-7H2,1-3H3/q+1
InChI Key:
OFPOVMSUOQOURT-UHFFFAOYSA-N
SMILES:
BrCCOCC[N+](C)(C)C
Properties
Complexity:
80.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.049g/mol
Formal Charge:
1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.123g/mol
Monoisotopic Mass:
210.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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