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16693-68-8 | Phosphonic acid, [(butylimino)bis(methylene)]bis-, trisodium salt (9CI)
CAS No: 16693-68-8 Catalog No: AG001X0L MDL No:
Product Description
Catalog Number:
AG001X0L
Chemical Name:
Phosphonic acid, [(butylimino)bis(methylene)]bis-, trisodium salt (9CI)
CAS Number:
16693-68-8
Molecular Formula:
C6H14NNa3O6P2
Molecular Weight:
327.0953
IUPAC Name:
trisodium;[butyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate
InChI:
InChI=1S/C6H17NO6P2.3Na/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);;;/q;3*+1/p-3
InChI Key:
ONHQYNUOSTXPAQ-UHFFFAOYSA-K
SMILES:
CCCCN(CP(=O)(O)[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+]
EC Number:
240-737-7
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.999g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.096g/mol
Monoisotopic Mass:
326.999g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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