HuagongsheHuagongshe Chemistry Print Report · For research reference only
methyl L-prolinate hydrochloride
L-PROLINE METHYL ESTER HYDROCHLORIDE · PROLINE METHYL ESTER HYDROCHLORIDE · L-Proline Methyl Ester Monohydrochloride · L-Pro-Ome.HCl · L-Proline methyleester hydrochloride · Methyl L-prolinate hydrochloride USP/EP/BP · L-Proline methyl ester hydrochloride≥ 99% (HPLC) · Methyl (2S)-pyrrolidine-2-carboxylate hydrochloride
Identifiers & Physical Properties
| CAS No. | 2133-40-6 |
|---|---|
| Molecular formula | C6H12ClNO2 |
| Average molar mass | 165.62 g/mol |
| SMILES | COC(=O)[C@@H]1CCCN1.Cl |
| InChIKey | HQEIPVHJHZTMDP-JEDNCBNOSA-N |
| PubChem CID | 2733200 |
| EC No. | 218-363-0 |
Chemical & Physical Properties
| Topological polar surface area | 38.3 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 114 |
| Melting point | 69-71 °C(lit.) |
| alpha | -33 º (c=1, H2O) |
| Boiling point | 55 °C / 11mmHg |
| Density | 1.1426 (rough estimate) |
| Refractive index | -31.5 ° (C=1, H2O) |
| Storage conditions | Inert atmosphere,2-8°C |
| Solubility | Chloroform, Methanol (Slightly), Water (slightly) |
| Physical state | Crystalline Powder, Crystals, and/or Chunks |
| Color | White |
| optical activity | [α]20/D 31°, c = 0.5 in H2O |
| Sensitivity | Hygroscopic |
| BRN | 3596045 |
| Stability | Hygroscopic |
| Major applications | peptide synthesis |
| InChI | 1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H31H/t5-/m0./s1 |
| InChIKey | HQEIPVHJHZTMDP-JEDNCBNOSA-N |
| SMILES | Cl[H].[H][C@]1(CCCN1)C(=O)OC |
| CAS DataBase Reference | 2133-40-6(CAS DataBase Reference) |
| FDA UNII | 7LWL7P890M |
| UNSPSC Code | 12352209 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/38 |
| Safety statements (S) | 26-37/39 |
| Water hazard class (WGK) | 3 |
| F | 3-8-10-21 |
| Hazard Note | Harmful |
| Customs code | 29189900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 77 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | L-Proline, methyl ester, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (98.7%) |
| F | 3-8-10-21 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29189900 |
| Risk statements (R) | 36/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Harmful |
| Safety statements (S) | 26-37/39 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313 |
Applications & Uses
Uses
L-Proline Methyl Ester Hydrochloride (cas# 2133-40-6) is a compound useful in organic synthesis.