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Ethanimidamide, 2-Amino-, Dihydrobromide
CAS: 69816-37-1 | C2H9Br2N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69816-37-1
Molecular Formula:
C2H9Br2N3
Molecular Mass:
234.92 g/mol
Names and Synonyms:
Ethanimidamide, 2-Amino-, Dihydrobromide
Ethanimidamide, 2-amino-, dihydrobromide
Acetamidine, 2-amino-, dihydrobromide
2-Aminoacetamidine dihydrobromide
Identifiers:
SMILES:
Br.Br.N=C(N)CN
InChI:
InChI=1S/C2H7N3.2BrH/c3-1-2(4)5;;/h1,3H2,(H3,4,5);2*1H
Key Properties
Melting Point
220 °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 | 234.92 g/mol | CAS Common Chemistry |
| 234.92299999999997 g/mol | RDKit | |
| 232.916321488 g/mol | RDKit | |
| Canonical SMILES | Br.N=C(N)CN | CAS Common Chemistry |
| InChI | InChI=1S/C2H7N3.2BrH/c3-1-2(4)5;;/h1,3H2,(H3,4,5);2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=SLCZNGZFOVAAED-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 220 °C | CAS Common Chemistry |
| Name | Ethanimidamide, 2-amino-, dihydrobromide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 75.89 Ų | RDKit |
| LogP | 0.03686999999999985 | RDKit |
| Molar Refractivity | 41.612500000000004 | RDKit |
