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Molecule
Butyl Methacrylate-2-Methacryloyloxyethylphosphorylcholine Copolymer
CAS: 125275-25-4 · C19H36NO8P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 125275-25-4
- Molecular Formula
- C19H36NO8P
- Molecular Mass
- 437.47 g/mol
Identifiers
CAS Registry Number
125275-25-4
SMILES
C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C
InChI Key
YMBGNWVYKDMNSN-UHFFFAOYSA-N
InChI
InChI=1S/C11H22NO6P.C8H14O2/c1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5;1-4-5-6-10-8(9)7(2)3/h1,6-9H2,2-5H3;2,4-6H2,1,3H3
Names and Synonyms
- Butyl Methacrylate-2-Methacryloyloxyethylphosphorylcholine Copolymer Systematic Name
- 3,5,8-Trioxa-4-phosphaundec-10-en-1-aminium, 4-hydroxy-N,N,N,10-tetramethyl-9-oxo-, inner salt, 4-oxide, polymer with butyl 2-methyl-2-propenoate Synonym
- 2-Propenoic acid, 2-methyl-, butyl ester, polymer with 4-hydroxy-N,N,N,10-tetramethyl-9-oxo-3,5,8-trioxa-4-phosphaundec-10-en-1-aminium inner salt 4-oxide Synonym
- n-Butyl methacrylate-2-methacryloyloxyethylphosphorylcholine copolymer Synonym
- 2-Methacryloyloxyethylphosphorylcholine-butyl methacrylate copolymer Synonym
- Butyl methacrylate-2-(methacryloyloxy)ethyl-2′-(trimethylammonio)ethyl phosphate copolymer Synonym
- Lipidure PMB Synonym
- Polyquaternium 51 Synonym
- Butyl methacrylate-2-methacryloyloxyethylphosphorylcholine copolymer Synonym
- Butyl methacrylate-2-methacryloyloxyethylphosphocholine copolymer Synonym
- Purebright MB 37-50T Synonym
- Lipidure CM 5206 Synonym
- Lipidure PMB 82 Synonym
- PMB 30W Synonym
- PMB 3070 Synonym
- Lipidure PMB(BG) Synonym
- Purebright 50T Synonym
- 2-Methacryloyloxyethyl phosphocholine-n-butyl methacrylate copolymer Synonym
- Lipidure CM 5206E Synonym
- 2-Methacryloyloxyethyl phosphorylcholine-n-butyl methacrylate copolymer Synonym
- Lipidure B Synonym
- Polyquaterium 51 Synonym
- Methacryloyloxyethyl phosphorylcholine-n-butyl methacrylate copolymer Synonym
- CM 5206 Synonym
- Butyl methacrylate-2-methacryloxyethyl phosphorylcholine copolymer Synonym
- Purebright MB 37-100T Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 437.47 g/mol | CAS Common Chemistry |
| 437.47000000000014 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCOP(=O)([O-])OCC[N+](C)(C)C)C(=C)C.O=C(OCCCC)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H22NO6P.C8H14O2/c1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5;1-4-5-6-10-8(9)7(2)3/h1,6-9H2,2-5H3;2,4-6H2,1,3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YMBGNWVYKDMNSN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Butyl methacrylate-2-methacryloyloxyethylphosphorylcholine copolymer | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 111.19000000000001 Ų | RDKit |
| 111.19 Ų | RDKit | |
| LogP | 2.2192999999999996 | RDKit |
| 2.2193 | RDKit | |
| Molar Refractivity | 108.86390000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6842 | RDKit |
| 0.68 | chempirical lib | |
| Exact Mass | 437.21785374199993 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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.
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MW = 437.47 g/mol. Edit any field — others recompute live.
