N-(tert-Butyl)decahydroisoquinoline-3-carboxamide
- Product NameN-(tert-Butyl)decahydroisoquinoline-3-carboxamide
- CAS136465-81-1
- MFC14H26N2O
- MW238.37
- EINECS420-380-5
- MOL File136465-81-1.mol
Chemical Properties
| Melting point | 112-115 °C(lit.) |
| alpha | -70 º |
| Boiling point | 380.97°C (rough estimate) |
| Density | 1.09 |
| vapor pressure | 0.001-0.01Pa at 25-40℃ |
| refractive index | 1.4590 (estimate) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pka | 15.65±0.20(Predicted) |
| form | powder to crystal |
| color | White to Almost white |
| optical activity | [α]22/D 71°, c = 1 in methanol |
| InChI | 1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12-/m0/s1 |
| InChIKey | UPZBXVBPICTBDP-TUAOUCFPSA-N |
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1 |
| Surface tension | 51.9mN/m at 1g/L and 20℃ |
| Dissociation constant | 8.64 at 24℃ |
| CAS DataBase Reference | 136465-81-1(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,Xn |
| Risk Statements | 22-41-52/53 |
| Safety Statements | 24/25-61-39-26-22 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29334900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 3 Eye Dam. 1 |
