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113818-01-2 | Ethanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, iodide (1:1)
CAS No: 113818-01-2 Catalog No: AG0009RW MDL No:
Product Description
Catalog Number:
AG0009RW
Chemical Name:
Ethanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, iodide (1:1)
CAS Number:
113818-01-2
Molecular Formula:
C8H20INO3
Molecular Weight:
305.1538
IUPAC Name:
ethyl-tris(2-hydroxyethyl)azanium;iodide
InChI:
InChI=1S/C8H20NO3.HI/c1-2-9(3-6-10,4-7-11)5-8-12;/h10-12H,2-8H2,1H3;1H/q+1;/p-1
InChI Key:
HUPOYPVCTHYDQT-UHFFFAOYSA-M
SMILES:
OCC[N+](CCO)(CCO)CC.[I-]
Properties
Complexity:
91.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
305.156g/mol
Monoisotopic Mass:
305.049g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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