![p-N-[3-[N-Aziridyl]propyl]toluidine](/api/spectrum/CSGVcFDc0bQ/structure.png?h=300&w=458 "p-N-[3-[N-Aziridyl]propyl]toluidine")
| SpectraBase Compound ID | HoLFsLkOcZQ |
|---|---|
| InChI | InChI=1S/C12H18N2/c1-11-3-5-12(6-4-11)13-7-2-8-14-9-10-14/h3-6,13H,2,7-10H2,1H3 |
| InChIKey | BARSOFCCSXTNGR-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C12H18N2 |
| Exact Mass | 190.146999 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CSGVcFDc0bQ |
|---|---|
| Name | p-N-[3-[N-Aziridyl]propyl]toluidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.146998588 u |
| Formula | C12H18N2 |
| InChI | InChI=1S/C12H18N2/c1-11-3-5-12(6-4-11)13-7-2-8-14-9-10-14/h3-6,13H,2,7-10H2,1H3 |
| InChIKey | BARSOFCCSXTNGR-UHFFFAOYSA-N |
| Molecular Weight | 190.290 g/mol |
| SMILES | C1=CC(NCCCN2CC2)=CC=C1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901303 |