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81797-48-0 | Phosphonicacid, [(octylimino)bis(methylene)]bis-, tetrasodium salt (9CI)
CAS No: 81797-48-0 Catalog No: AG0056TB MDL No:
Product Description
Catalog Number:
AG0056TB
Chemical Name:
Phosphonicacid, [(octylimino)bis(methylene)]bis-, tetrasodium salt (9CI)
CAS Number:
81797-48-0
Molecular Formula:
C10H21NNa4O6P2
Molecular Weight:
405.1834
IUPAC Name:
tetrasodium;N,N-bis(phosphonatomethyl)octan-1-amine
InChI:
InChI=1S/C10H25NO6P2.4Na/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4
InChI Key:
UAVOQKCTRXBMSE-UHFFFAOYSA-J
SMILES:
CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.043g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.186g/mol
Monoisotopic Mass:
405.043g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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