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Lysidine (Chemical)
CAS: 534-26-9 | C4H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
534-26-9
Molecular Formula:
C4H8N2
Molecular Mass:
84.12 g/mol
Names and Synonyms:
Lysidine (Chemical)
1H-Imidazole, 4,5-dihydro-2-methyl-
2-Imidazoline, 2-methyl-
4,5-Dihydro-2-methyl-1H-imidazole
Lysidine
Methylglyoxalidine
2-Methyl-Δ2-imidazoline
2-Methyl-2-imidazoline
2-Methylimidazoline
2-Methyl-4,5-dihydroimidazole
2-Methyl-4,5-dihydro-1H-imidazole
Identifiers:
SMILES:
CC1=NCCN1
InChI:
InChI=1S/C4H8N2/c1-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)
Key Properties
Boiling Point
196.5 °C
CAS Common Chemistry
Melting Point
107 °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 | 84.12 g/mol | CAS Common Chemistry |
| 84.122 g/mol | RDKit | |
| 84.06874825599999 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 |
| Molar Refractivity | 25.97869999999999 | RDKit |
