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115828-65-4 | Ethanaminium, 2-(acetyloxy)-N-(carboxymethyl)-N,N-dimethyl-, bromide (1:1)
CAS No: 115828-65-4 Catalog No: AG000GXL MDL No:
Product Description
Catalog Number:
AG000GXL
Chemical Name:
Ethanaminium, 2-(acetyloxy)-N-(carboxymethyl)-N,N-dimethyl-, bromide (1:1)
CAS Number:
115828-65-4
Molecular Formula:
C8H16BrNO4
Molecular Weight:
270.1209
IUPAC Name:
2-acetyloxyethyl-(carboxymethyl)-dimethylazanium;bromide
InChI:
InChI=1S/C8H15NO4.BrH/c1-7(10)13-5-4-9(2,3)6-8(11)12;/h4-6H2,1-3H3;1H
InChI Key:
AJTORLKGSDNAPJ-UHFFFAOYSA-N
SMILES:
CC(=O)OCC[N+](CC(=O)O)(C)C.[Br-]
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.123g/mol
Monoisotopic Mass:
269.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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