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13973-51-8 | Phosphonic acid, [(dodecylimino)bis(methylene)]bis-, trisodium salt (9CI)
CAS No: 13973-51-8 Catalog No: AG001BMR MDL No:
Product Description
Catalog Number:
AG001BMR
Chemical Name:
Phosphonic acid, [(dodecylimino)bis(methylene)]bis-, trisodium salt (9CI)
CAS Number:
13973-51-8
Molecular Formula:
C14H30NNa3O6P2
Molecular Weight:
439.3079
IUPAC Name:
trisodium;[dodecyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate
InChI:
InChI=1S/C14H33NO6P2.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);;;/q;3*+1/p-3
InChI Key:
ZFCUMUWHVLBQBF-UHFFFAOYSA-K
SMILES:
CCCCCCCCCCCCN(CP(=O)(O)[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+]
EC Number:
237-755-2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.124g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.312g/mol
Monoisotopic Mass:
439.124g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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