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91747-51-2 | (2-Guanidinoethyl)trimethylammonium iodide hydroiodide
CAS No: 91747-51-2 Catalog No: AG01EZ3D MDL No:
Product Description
Catalog Number:
AG01EZ3D
Chemical Name:
(2-Guanidinoethyl)trimethylammonium iodide hydroiodide
CAS Number:
91747-51-2
Molecular Formula:
C6H18I2N4
Molecular Weight:
400.0429
IUPAC Name:
2-(diaminomethylideneazaniumyl)ethyl-trimethylazanium;diiodide
InChI:
InChI=1S/C6H17N4.2HI/c1-10(2,3)5-4-9-6(7)8;;/h4-5H2,1-3H3,(H4,7,8,9);2*1H/q+1;;/p-1
InChI Key:
GQKIIPRFXKQHIL-UHFFFAOYSA-M
SMILES:
NC(=[NH2+])NCC[N+](C)(C)C.[I-].[I-]
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.962g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
400.047g/mol
Monoisotopic Mass:
399.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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