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| Name |
Phosphonicacid, [(propylimino)bis(methylene)]bis-, tetrasodium salt (9CI) |
EINECS | 303-455-6 |
| CAS No. | 94199-80-1 | Density | N/A |
| PSA | 149.24000 | LogP | 1.72160 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H15NO6P2.4Na | Boiling Point | N/A |
| Molecular Weight | 335.050542 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Tetrasodium ((propylimino)bis(methylene))diphosphonate; |
Phosphonicacid, [(propylimino)bis(methylene)]bis-, tetrasodium salt (9CI) Specification
The Phosphonicacid, [(propylimino)bis(methylene)]bis-, tetrasodium salt (9CI), with the CAS registry number 94199-80-1, is also known as Tetrasodium ((propylimino)bis(methylene))diphosphonate. Its EINECS registry number is 303-455-6. This chemical's molecular formula is C5H15NO6P2.4Na and molecular weight is 335.050542. Its IUPAC name is called tetrasodium N,N-bis(phosphonatomethyl)propan-1-amine.
Physical properties of Phosphonicacid, [(propylimino)bis(methylene)]bis-, tetrasodium salt (9CI): (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 7; (3)Rotatable Bond Count: 4; (4)Exact Mass: 334.965239; (5)MonoIsotopic Mass: 334.965239; (6)Topological Polar Surface Area: 130; (7)Heavy Atom Count: 18; (8)Formal Charge: 0; (9)Complexity: 210; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 5.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
(2)InChI: InChI=1S/C5H15NO6P2.4Na/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4
(3)InChIKey: QERBDUDCPJCLER-UHFFFAOYSA-J
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