Back to Search
2-[Cyano(2,3-Dichlorophenyl)Methylene]Hydrazinecarboximidamide
CAS: 84689-20-3 | C9H7Cl2N5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
84689-20-3
Molecular Formula:
C9H7Cl2N5
Molecular Mass:
256.10 g/mol
Names and Synonyms:
2-[Cyano(2,3-Dichlorophenyl)Methylene]Hydrazinecarboximidamide
Hydrazinecarboximidamide, 2-[cyano(2,3-dichlorophenyl)methylene]-
2-[Cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide
(2,3-Dichlorophenyl)(guanidinylimino)acetonitrile
2-(2,3-Dichlorophenyl)-2-guanidinyliminoacetonitrile
Identifiers:
SMILES:
N#CC(=NNC(=N)N)c1cccc(Cl)c1Cl
InChI:
InChI=1S/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)
Key Properties
Melting Point
176-178 °C
CAS Common Chemistry
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 | 256.10 g/mol | CAS Common Chemistry |
| 256.096 g/mol | RDKit | |
| 255.00785058399998 g/mol | RDKit | |
| Canonical SMILES | N#CC(=NNC(=N)N)C=1C=CC=C(Cl)C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16) | CAS Common Chemistry |
| InChI Key | InChIKey=BXDSJOGMJUKSAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176-178 °C | CAS Common Chemistry |
| Name | 2-[Cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 98.05 Ų | RDKit |
| LogP | 1.7041499999999996 | RDKit |
| Molar Refractivity | 63.66180000000001 | RDKit |
