116539-55-0
| Name | 3-Methylamino-1-(2-thienyl)-1-propanol |
| CAS | 116539-55-0 |
| EINECS(EC#) | 601-437-5 |
| Molecular Formula | C8H13NOS |
| MDL Number | MFCD07357308 |
| Molecular Weight | 171.26 |
| MOL File | 116539-55-0.mol |
Chemical Properties
| Melting point | 72.0 to 76.0 °C |
| Boiling point | 294.3±35.0 °C(Predicted) |
| density | 1.128±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 13.77±0.20(Predicted) |
| color | Off-White to Pink |
| Major Application | pharmaceutical small molecule |
| InChI | InChI=1/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/s3 |
| InChIKey | YEJVVFOJMOHFRL-ZETCQYMHSA-N |
| SMILES | [C@H](C1SC=CC=1)(O)CCNC |&1:0,r| |
| CAS DataBase Reference | 116539-55-0 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319 |
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| WGK Germany | WGK 2 |
| REACH Registrations | Active |
| HS Code | 2934999090 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 3 Skin Corr. 1A |