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Molecule
Poly-D-Lysine Hydrobromide
CAS: 27964-99-4 · C6H15BrN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 27964-99-4
- Molecular Formula
- C6H15BrN2O2
- Molecular Mass
- 227.10 g/mol
Identifiers
CAS Registry Number
27964-99-4
SMILES
Br.NCCCC[C@@H](N)C(=O)O
InChI Key
MEXAGTSTSPYCEP-NUBCRITNSA-N
InChI
InChI=1S/C6H14N2O2.BrH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m1./s1
Names and Synonyms
- Poly-D-Lysine Hydrobromide Common Name
- D-Lysine, homopolymer, hydrobromide Synonym
- Lysine, D-, peptides, hydrobromide Synonym
- Poly-D-lysine hydrobromide Synonym
- P 1024 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 227.10 g/mol | CAS Common Chemistry |
| 227.10199999999998 g/mol | RDKit | |
| 227.102 g/mol | RDKit | |
| Canonical SMILES | Br.O=C(O)C(N)CCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2O2.BrH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MEXAGTSTSPYCEP-NUBCRITNSA-N | CAS Common Chemistry |
| Name | Poly-D-lysine hydrobromide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 89.34 Ų | RDKit |
| LogP | 0.1051999999999998 | RDKit |
| 0.1052 | RDKit | |
| Molar Refractivity | 48.838600000000014 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 226.03168982 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 |
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200 ppm
180
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0 ppm
| 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 = 227.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15BrN2O2.
