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Imidazolidine
CAS: 504-74-5 | C3H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
504-74-5
Molecular Formula:
C3H8N2
Molecular Weight:
72.11099999999999 g/mol
Names and Synonyms:
Imidazolidine
Synonym
Imidazolidine
Synonym
Imidazole, tetrahydro-
Synonym
1,3-Diazacyclopentane
Synonym
Identifiers:
SMILES:
C1CNCN1
InChI:
InChI=1S/C3H8N2/c1-2-5-3-4-1/h4-5H,1-3H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 72.11099999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 72.06874825599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 24.06 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.8633000000000002 | RDKit |
| molecular_mass | 72.11 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Imidazolidine None | Legacy Database |
| cas-canonical-smile | N1CNCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C3H8N2/c1-2-5-3-4-1/h4-5H,1-3H2 None | Legacy Database |
| cas-inchi-key | InChIKey=WRYCSMQKUKOKBP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 68.2-68.8 °C None | Legacy Database |
| cas-name | Imidazolidine None | Legacy Database |
| wikipedia-name | Imidazolidine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.872400000000003 | RDKit |