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Molecule
Lysidine (Chemical)
CAS: 534-26-9 · C4H8N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 534-26-9
- Molecular Formula
- C4H8N2
- Molecular Mass
- 84.12 g/mol
Identifiers
CAS Registry Number
534-26-9
SMILES
CC1=NCCN1
InChI Key
VWSLLSXLURJCDF-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2/c1-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)
Names and Synonyms
- Lysidine (Chemical) Synonym
- 1H-Imidazole, 4,5-dihydro-2-methyl- Synonym
- 2-Imidazoline, 2-methyl- Synonym
- 4,5-Dihydro-2-methyl-1H-imidazole Synonym
- Lysidine Synonym
- Methylglyoxalidine Synonym
- 2-Methyl-Δ2-imidazoline Synonym
- 2-Methyl-2-imidazoline Synonym
- 2-Methylimidazoline Synonym
- 2-Methyl-4,5-dihydroimidazole Synonym
- 2-Methyl-4,5-dihydro-1H-imidazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 84.12 g/mol | CAS Common Chemistry |
| 84.122 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lysidine_(chemical) | CAS Common Chemistry |
| Boiling Point | 196.5 °C | CAS Common Chemistry |
| Canonical SMILES | N1=C(NCC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2/c1-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=VWSLLSXLURJCDF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107 °C | CAS Common Chemistry |
| Name | 2-Methylimidazoline | CAS Common Chemistry |
| Lysidine (chemical) | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.39 Ų | RDKit |
| LogP | 0.008000000000000063 | RDKit |
| 0.008 | RDKit | |
| Molar Refractivity | 25.97869999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 84.06874825599999 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 |
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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.
External Resources
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MW = 84.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8N2.
