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Molecule
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
Identifiers
CAS Registry Number
57028-96-3
SMILES
Cl.N=C(N)N.NCCCCCCN
InChI Key
REZCJHXVNVUWGF-UHFFFAOYSA-N
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
Names and Synonyms
- Guanidine Hydrochloride-Hexamethylenediamine Copolymer Synonym
- Guanidine, hydrochloride (1:1), polymer with 1,6-hexanediamine Synonym
- Guanidine, monohydrochloride, polymer with 1,6-hexanediamine Synonym
- 1,6-Hexanediamine, polymer with guanidine monohydrochloride Synonym
- Guanidine hydrochloride-hexamethylenediamine copolymer Synonym
- Metacide Synonym
- Metacide (fungicide) Synonym
- Guanidine hydrochloride-1,6-hexamethylenediamine copolymer Synonym
- Guanidine hydrochloride-1,6-hexanediamine copolymer Synonym
- 1,6-Hexanediamine-guanidine hydrochloride copolymer Synonym
- Hygisoft Synonym
- Hexamethylene diamine-guanidine hydrochloride copolymer Synonym
- Akacid Forte Synonym
- Agrosept forte Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.74 g/mol | CAS Common Chemistry |
| 211.74099999999999 g/mol | RDKit | |
| 211.741 g/mol | RDKit | |
| 211.738 g/mol | chempirical lib | |
| 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 |
| 127.93 Ų | RDKit | |
| 116.08 Ų | chempirical lib | |
| LogP | -0.2754300000000006 | RDKit |
| -0.2754 | RDKit | |
| Molar Refractivity | 59.92630000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 211.15637338399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 211.74 g/mol. Edit any field — others recompute live.
