498-94-2
| Name | Isonipecotic acid |
| CAS | 498-94-2 |
| EINECS(EC#) | 207-872-3 |
| Molecular Formula | C6H11NO2 |
| MDL Number | MFCD00006004 |
| Molecular Weight | 129.16 |
| MOL File | 498-94-2.mol |
Chemical Properties
| Appearance | white to faint pink-beige powder |
| Melting point | >300 °C(lit.) |
| Boiling point | 239.22°C (rough estimate) |
| density | 1.1426 (rough estimate) |
| refractive index | 1.4587 (estimate) |
| storage temp. | Store at 0-5°C |
| solubility | Water |
| form | Powder |
| pka | pK1:3.73(+1);pK2:10.72(0) (25°C) |
| color | White to faint pink-beige |
| Water Solubility | soluble |
| Detection Methods | HPLC,T,NMR |
| Merck | 14,5189 |
| BRN | 112553 |
| InChI | InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9) |
| InChIKey | SRJOCJYGOFTFLH-UHFFFAOYSA-N |
| SMILES | N1CCC(C(O)=O)CC1 |
| CAS DataBase Reference | 498-94-2(CAS DataBase Reference) |
| EPA Substance Registry System | 4-Piperidinecarboxylic acid (498-94-2) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | NS5150000 |
| Hazard Note | Irritant |
| TSCA | T |
| REACH Registrations | Active |
| HazardClass | IRRITANT |
| HS Code | 29333999 |
| Storage Class | 11 - Combustible Solids |