Methyl DL-prolinate
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Basic information
- CAS
2133-40-6- Standard SMILES
COC(=O)C1CCCN1- InChIKey
BLWYXBNNBYXPPL-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- Methyl DL-prolinate
- IUPAC
- methyl pyrrolidine-2-carboxylate
- English name
- Methyl L-prolinate hydrochloride
- Molecular formula
- C6H12ClNO2
- Molecular weight
- 165.62
Names & synonyms
methyl pyrrolidine-2-carboxylate52183-82-1Methyl DL-prolinateproline, methyl esterPyrrolidine-2-carboxylic acid methyl ester2BQC0016L7EINECS 257-714-22-(carbomethoxy)pyrrolidineMETHYL PROLINE, (RS)-2-(methyloxycarbonyl)pyrrolidineDL-PROLINE, METHYL ESTERRefChem:817732
Show more names
L-PROLINE METHYL ESTER HYDROCHLORIDEPROLINE METHYL ESTER HYDROCHLORIDEL-Proline Methyl Ester MonohydrochlorideL-Pro-Ome.HClL-Proline methyleester hydrochlorideMethyl L-prolinate hydrochloride USP/EP/BPL-Proline methyl ester hydrochloride≥ 99% (HPLC)Methyl (2S)-pyrrolidine-2-carboxylate hydrochlorideine methyLPRO-OME.HCL
METHYL PROLINE, (+-)-257-714-2MFCD05864595methylpyrrolidine-2-carboxylateNSC617316UNII-2BQC0016L7methylDL-prolinateDL-Proline methyl
Database identifiers
- CAS
2133-40-6、52183-82-1- PubChem CID
- 94239
- DTXSID
DTXSID60943883- ChEMBL
CHEMBL75695- UNII
- 2BQC0016L7
- EC Number
- 257-714-2
- Nikkaji
- J306.158B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Melting point
- 69 · 69-71 °C(lit.)
- alpha
- -33 · -33 º (c=1, H2O)
- Boiling point
- 55 °C · 55 °C / 11mmHg
- Density
- 1.1426 · 1.1426 (rough estimate)
- refractive index
- -31.5 ° · -31.5 ° (C=1, H2O)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform, Methanol (Slightly), Water (slightly)
- form
- Crystalline Powder, Crystals, and/or Chunks
- color
- White
- optical activity
- 20 · [α]20/D 31°, c = 0.5 in H2O
- Sensitive
- Hygroscopic
- BRN
- 3596045 · 3596045
- Stability
- Hygroscopic
- Major Application
- peptide synthesis
- InChI
- 1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 3-8-10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29189900
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Chemistry & industry
Applications
UsesL-Proline Methyl Ester Hydrochloride (cas# 2133-40-6) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
82 records
Compound notes
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