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2-Hydrazino-2-Imidazoline Hydrobromide
CAS: 55959-84-7 | C3H9BrN4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
55959-84-7
Molecular Formula:
C3H9BrN4
Molecular Mass:
181.04 g/mol
Names and Synonyms:
2-Hydrazino-2-Imidazoline Hydrobromide
1H-Imidazole, 2-hydrazinyl-4,5-dihydro-, hydrobromide (1:1)
2-Imidazolidinone, hydrazone, monohydrobromide
2-Hydrazino-2-imidazoline hydrobromide
2-Hydrazino-4,5-dihydroimidazole hydrobromide
2-Hydrazinyl-4,5-dihydro-1H-imidazole hydrobromide
(4,5-Dihydro-1H-imidazol-2-yl)-hydrazine hydrobromide
Identifiers:
SMILES:
Br.NNC1=NCCN1
InChI:
InChI=1S/C3H8N4.BrH/c4-7-3-5-1-2-6-3;/h1-2,4H2,(H2,5,6,7);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 | 181.04 g/mol | CAS Common Chemistry |
| 181.03699999999998 g/mol | RDKit | |
| 180.001058388 g/mol | RDKit | |
| Canonical SMILES | Br.N(N)=C1NCCN1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H8N4.BrH/c4-7-3-5-1-2-6-3;/h1-2,4H2,(H2,5,6,7);1H | CAS Common Chemistry |
| InChI Key | InChIKey=HIJRJVVSABWXKG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Hydrazino-2-imidazoline hydrobromide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 62.44 Ų | RDKit |
| LogP | -1.0131999999999999 | RDKit |
| Molar Refractivity | 37.94980000000001 | RDKit |
