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Phosphonium, Tetrakis(Hydroxymethyl)-, Chloride (1:1), Polymer With Urea
CAS: 27104-30-9 | C5H16ClN2O5P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27104-30-9
Molecular Formula:
C5H16ClN2O5P
Molecular Mass:
250.62 g/mol
Names and Synonyms:
Phosphonium, Tetrakis(Hydroxymethyl)-, Chloride (1:1), Polymer With Urea
Phosphonium, tetrakis(hydroxymethyl)-, chloride (1:1), polymer with urea
Phosphonium, tetrakis(hydroxymethyl)-, chloride, polymer with urea
Urea condensation products, with tetrakis(hydroxymethyl)phosphonium chloride
Urea, polymer with tetrakis(hydroxymethyl)phosphonium chloride
Proban 420A
Tetrakis(hydroxymethyl)phosphonium chloride-urea polymer
Tetrakis(hydroxymethyl)phosphonium chloride-urea condensate
Urea-tetrakis(hydroxymethyl)phosphonium chloride polymer
Tetrakis(hydroxymethyl) phosphonium chloride-urea copolymer
Retardol AC
Albrite CC
THPC-urea copolymer
Tetramethylolphosphonium chloride-urea copolymer
Identifiers:
SMILES:
Cl.N=C(N)[O-].OC[P+](CO)(CO)CO
InChI:
InChI=1S/C4H12O4P.CH4N2O.ClH/c5-1-9(2-6,3-7)4-8;2-1(3)4;/h5-8H,1-4H2;(H4,2,3,4);1H/q+1;;/p-1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.62 g/mol | CAS Common Chemistry |
| 250.61899999999997 g/mol | RDKit | |
| 250.048535922 g/mol | RDKit | |
| Canonical SMILES | [Cl-].O=C(N)N.OC[P+](CO)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C4H12O4P.CH4N2O.ClH/c5-1-9(2-6,3-7)4-8;2-1(3)4;/h5-8H,1-4H2;(H4,2,3,4);1H/q+1;;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=SNIVVKDUMQYBAV-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Phosphonium, tetrakis(hydroxymethyl)-, chloride (1:1), polymer with urea | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 153.85 Ų | RDKit |
| LogP | -2.53483 | RDKit |
| Molar Refractivity | 54.42530000000002 | RDKit |
