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Molecule
2-Hydrazino-2-Imidazoline Hydrobromide
CAS: 55959-84-7 · C3H9BrN4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 55959-84-7
- Molecular Formula
- C3H9BrN4
- Molecular Mass
- 181.04 g/mol
Identifiers
CAS Registry Number
55959-84-7
SMILES
Br.NNC1=NCCN1
InChI Key
HIJRJVVSABWXKG-UHFFFAOYSA-N
InChI
InChI=1S/C3H8N4.BrH/c4-7-3-5-1-2-6-3;/h1-2,4H2,(H2,5,6,7);1H
Names and Synonyms
- 2-Hydrazino-2-Imidazoline Hydrobromide Synonym
- 1H-Imidazole, 2-hydrazinyl-4,5-dihydro-, hydrobromide (1:1) Synonym
- 2-Imidazolidinone, hydrazone, monohydrobromide Synonym
- 2-Hydrazino-2-imidazoline hydrobromide Synonym
- 2-Hydrazino-4,5-dihydroimidazole hydrobromide Synonym
- 2-Hydrazinyl-4,5-dihydro-1H-imidazole hydrobromide Synonym
- (4,5-Dihydro-1H-imidazol-2-yl)-hydrazine hydrobromide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.04 g/mol | CAS Common Chemistry |
| 181.03699999999998 g/mol | RDKit | |
| 181.037 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 |
| -1.0132 | RDKit | |
| Molar Refractivity | 37.94980000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 180.001058388 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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.
External Resources
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MW = 181.04 g/mol. Edit any field — others recompute live.
