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Poly(Allylamine Hydrochloride)
CAS: 71550-12-4 | C3H8ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71550-12-4
Molecular Formula:
C3H8ClN
Molecular Weight:
93.55699999999999 g/mol
Names and Synonyms:
Poly(Allylamine Hydrochloride)
Synonym
2-Propen-1-amine, hydrochloride (1:1), homopolymer
Synonym
2-Propen-1-amine, hydrochloride, homopolymer
Synonym
Poly(allylammonium chloride)
Synonym
Poly(allylamine hydrochloride)
Synonym
Allylamine hydrochloride homopolymer
Synonym
Allylamine hydrochloride polymer
Synonym
Poly(monoallylamine hydrochloride)
Synonym
Neofix RD 5
Synonym
Monorex RD
Synonym
Danfix 723
Synonym
PAA-HCL 01
Synonym
PAH
Synonym
Poly(allylamine chlorate)
Synonym
Polyallyl ammonium hydrochloride
Synonym
Allylammonium chloride homopolymer
Synonym
Identifiers:
SMILES:
C=CCN.Cl
InChI:
InChI=1S/C3H7N.ClH/c1-2-3-4;/h2H,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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 93.56 g/mol | Legacy Database |
| cas-canonical-smile | Cl.C=CCN None | Legacy Database |
| cas-inchi | InChI=1S/C3H7N.ClH/c1-2-3-4;/h2H,1,3-4H2;1H None | Legacy Database |
| cas-inchi-key | InChIKey=MLGWTHRHHANFCC-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Poly(allylamine hydrochloride) None | Legacy Database |
| LogP | 0.5529 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 93.55699999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 93.03452693599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.499399999999994 | RDKit |