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Molecule
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
Identifiers
CAS Registry Number
27104-30-9
SMILES
Cl.N=C(N)[O-].OC[P+](CO)(CO)CO
InChI Key
SNIVVKDUMQYBAV-UHFFFAOYSA-M
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
Names and Synonyms
- Phosphonium, Tetrakis(Hydroxymethyl)-, Chloride (1:1), Polymer With Urea Systematic Name
- Phosphonium, tetrakis(hydroxymethyl)-, chloride (1:1), polymer with urea Synonym
- Phosphonium, tetrakis(hydroxymethyl)-, chloride, polymer with urea Synonym
- Urea condensation products, with tetrakis(hydroxymethyl)phosphonium chloride Synonym
- Urea, polymer with tetrakis(hydroxymethyl)phosphonium chloride Synonym
- Proban 420A Synonym
- Tetrakis(hydroxymethyl)phosphonium chloride-urea polymer Synonym
- Tetrakis(hydroxymethyl)phosphonium chloride-urea condensate Synonym
- Urea-tetrakis(hydroxymethyl)phosphonium chloride polymer Synonym
- Tetrakis(hydroxymethyl) phosphonium chloride-urea copolymer Synonym
- Retardol AC Synonym
- Albrite CC Synonym
- THPC-urea copolymer Synonym
- Tetramethylolphosphonium chloride-urea copolymer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.62 g/mol | CAS Common Chemistry |
| 250.61899999999997 g/mol | RDKit | |
| 250.619 g/mol | RDKit | |
| 250.616 g/mol | chempirical lib | |
| 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 |
| 141.76 Ų | chempirical lib | |
| LogP | -2.53483 | RDKit |
| -2.5348 | RDKit | |
| Molar Refractivity | 54.42530000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 250.048535922 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 250.62 g/mol. Edit any field — others recompute live.
