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Guanidine Hydrochloride-Hexamethylenediamine Copolymer
CAS: 57028-96-3 | C7H22ClN5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57028-96-3
Molecular Formula:
C7H22ClN5
Molecular Mass:
211.74 g/mol
Names and Synonyms:
Guanidine Hydrochloride-Hexamethylenediamine Copolymer
Guanidine, hydrochloride (1:1), polymer with 1,6-hexanediamine
Guanidine, monohydrochloride, polymer with 1,6-hexanediamine
1,6-Hexanediamine, polymer with guanidine monohydrochloride
Guanidine hydrochloride-hexamethylenediamine copolymer
Metacide
Metacide (fungicide)
Guanidine hydrochloride-1,6-hexamethylenediamine copolymer
Guanidine hydrochloride-1,6-hexanediamine copolymer
1,6-Hexanediamine-guanidine hydrochloride copolymer
Hygisoft
Hexamethylene diamine-guanidine hydrochloride copolymer
Akacid Forte
Agrosept forte
Identifiers:
SMILES:
Cl.N=C(N)N.NCCCCCCN
InChI:
InChI=1S/C6H16N2.CH5N3.ClH/c7-5-3-1-2-4-6-8;2-1(3)4;/h1-8H2;(H5,2,3,4);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 | 211.74 g/mol | CAS Common Chemistry |
| 211.74099999999999 g/mol | RDKit | |
| 211.15637338399998 g/mol | RDKit | |
| Canonical SMILES | Cl.N=C(N)N.NCCCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H16N2.CH5N3.ClH/c7-5-3-1-2-4-6-8;2-1(3)4;/h1-8H2;(H5,2,3,4);1H | CAS Common Chemistry |
| InChI Key | InChIKey=REZCJHXVNVUWGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Guanidine hydrochloride-hexamethylenediamine copolymer | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 127.92999999999999 Ų | RDKit |
| LogP | -0.2754300000000006 | RDKit |
| Molar Refractivity | 59.92630000000001 | RDKit |
