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Sevelamer Hydrochloride
CAS: 152751-57-0 | C6H13Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
152751-57-0
Molecular Formula:
C6H13Cl2NO
Molecular Mass:
186.08 g/mol
Names and Synonyms:
Sevelamer Hydrochloride
2-Propen-1-amine, hydrochloride (1:1), polymer with 2-(chloromethyl)oxirane
2-Propen-1-amine, hydrochloride, polymer with (chloromethyl)oxirane
Oxirane, (chloromethyl)-, polymer with 2-propen-1-amine hydrochloride
Allylamine hydrochloride-epichlorhydrin copolymer
Allylamine hydrochloride-epichlorohydrin copolymer
RenaGel
GT 16-026A
Sevelamer hydrochloride
Phosblock
Tasermity
Identifiers:
SMILES:
C=CCN.Cl.ClCC1CO1
InChI:
InChI=1S/C3H5ClO.C3H7N.ClH/c4-1-3-2-5-3;1-2-3-4;/h3H,1-2H2;2H,1,3-4H2;1H
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 | 186.08 g/mol | CAS Common Chemistry |
| 186.08199999999997 g/mol | RDKit | |
| 185.037419396 g/mol | RDKit | |
| Canonical SMILES | Cl.ClCC1OC1.C=CCN | CAS Common Chemistry |
| InChI | InChI=1S/C3H5ClO.C3H7N.ClH/c4-1-3-2-5-3;1-2-3-4;/h3H,1-2H2;2H,1,3-4H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=KHNXRSIBRKBJDI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sevelamer hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.55 Ų | RDKit |
| LogP | 1.1769 | RDKit |
| Molar Refractivity | 46.959400000000024 | RDKit |
