1-Benzhydrylazetane-3-carbonitrile
- CAS NO.：36476-86-5
- Empirical Formula: C17H16N2
- Molecular Weight: 248.32
- MDL number: MFCD00158910
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-22 12:34:27
What is 1-Benzhydrylazetane-3-carbonitrile?
Chemical properties
White Solid
The Uses of 1-Benzhydrylazetane-3-carbonitrile
A proline analog and proline formation inhibitor
Properties of 1-Benzhydrylazetane-3-carbonitrile
| Melting point: | 150-153°C |
| Boiling point: | 384.3±42.0 °C(Predicted) |
| Density | 1.15±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 5.61±0.10(Predicted) |
| color | White |
| Stability: | Good |
| InChI | InChI=1S/C17H16N2/c18-11-14-12-19(13-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,12-13H2 |
| CAS DataBase Reference | 36476-86-5(CAS DataBase Reference) |
Safety information for 1-Benzhydrylazetane-3-carbonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 1-Benzhydrylazetane-3-carbonitrile
| InChIKey | IXMOEAHDRKNAAG-UHFFFAOYSA-N |
| SMILES | N1(C(C2=CC=CC=C2)C2=CC=CC=C2)CC(C#N)C1 |
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