![3-[(2-Chlorophenyl)amino]propanenitrile (CAS: 94-89-3) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0658894.png "3-[(2-Chlorophenyl)amino]propanenitrile chemical structure")
3-[(2-Chlorophenyl)amino]propanenitrile
Catalog No: FT-0658894
CAS No: 94-89-3
- Chemical Name: 3-[(2-Chlorophenyl)amino]propanenitrile
- Molecular Formula: C9H9ClN2
- Molecular Weight: 180.63
- InChI Key: WZAUNZSICROOPY-UHFFFAOYSA-N
- InChI: InChI=1S/C9H9ClN2/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5,12H,3,7H2
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | N/A |
|---|---|
| CAS: | 94-89-3 |
| MF: | C9H9ClN2 |
| Flash_Point: | 170.6ºC |
| Product_Name: | 3-[(2-Chlorophenyl)Amino]Propanenitrile |
| Density: | 1.226 g/cm3 |
| FW: | 180.63400 |
| Bolling_Point: | 358.4ºC at 760 mmHg |
| FW: | 180.63400 |
|---|---|
| Refractive_Index: | 1.593 |
| MF: | C9H9ClN2 |
| Flash_Point: | 170.6ºC |
| LogP: | 2.73858 |
| Molecular_Structure: | ['1 . Molar refractive index 4993 ', '2 . Molar volume 1472 ', '3 . Parachor （902K）3898 ', '4 . Surface tension 491 ', '5 . Polarizability 1979'] |
| Density: | 1.226 g/cm3 |
| PSA: | 35.82000 |
| Bolling_Point: | 358.4ºC at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 358 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :173 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Exact_Mass: | 180.04500 |
| HS_Code: | 2926909090 |
|---|
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