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Molecule
2-Phenylimidazoline
CAS: 936-49-2 · C9H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 936-49-2
- Molecular Formula
- C9H10N2
- Molecular Mass
- 146.19 g/mol
Identifiers
CAS Registry Number
936-49-2
SMILES
c1ccc(C2=NCCN2)cc1
InChI Key
BKCCAYLNRIRKDJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)
Names and Synonyms
- 2-Phenylimidazoline Synonym
- 1H-Imidazole, 4,5-dihydro-2-phenyl- Synonym
- 2PZ-L Synonym
- 2-Imidazoline, 2-phenyl- Synonym
- 4,5-Dihydro-2-phenyl-1H-imidazole Synonym
- 2-Phenylimidazoline Synonym
- 2-Phenyl-2-imidazoline Synonym
- 2-Phenyl-4,5-dihydroimidazole Synonym
- Curezol 2PZ-L Synonym
- Vestagon B 31 Synonym
- B 31 Synonym
- Veba B 31 Synonym
- NSC 54747 Synonym
- 2-Phenyl-4,5-dihydro-1H-imidazole Synonym
- Eutomer B 31 Synonym
- Jietongda SA 31 Synonym
- SA 31 Synonym
- Curezol 2PZL-T Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.19 g/mol | CAS Common Chemistry |
| 146.193 g/mol | RDKit | |
| Boiling Point | 162 °C | CAS Common Chemistry |
| Canonical SMILES | N1=C(NCC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=BKCCAYLNRIRKDJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 102-103 °C | CAS Common Chemistry |
| Name | 2-Phenylimidazoline | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 24.39 Ų | RDKit |
| LogP | 1.0364 | RDKit |
| Molar Refractivity | 45.84870000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 146.08439832 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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 = 146.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H10N2.
