Basic information
- Standard SMILES
COC(=O)[C@@H]1CCCN1.Cl- InChIKey
HQEIPVHJHZTMDP-JEDNCBNOSA-N- Molecular formula
- C6H12ClNO2
- Average molar mass
- 165.62 g/mol
Names & identifiers
- Preferred name
- methyl L-prolinate hydrochloride
- IUPAC
- methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
- English name
- Methyl L-prolinate hydrochloride
- Molecular formula
- C6H12ClNO2
- Molecular weight
- 165.62
Names & synonyms
2133-40-6Methyl L-prolinate hydrochlorideMethyl prolinate hydrochloride(S)-methyl pyrrolidine-2-carboxylate Hydrochloride7LWL7P890MMethyl L-prolinate HClEINECS 218-363-0(S)-proline methyl ester hydrochloridemethyl proline hydrochlorideUNII-7LWL7P890M(S)-pyrrolidine-2-carboxylic acid methyl ester hydrochloride(-)-PROLINE METHYL ESTER HYDROCHLORIDE
Show more names
L-PROLINE METHYL ESTER HYDROCHLORIDEPROLINE METHYL ESTER HYDROCHLORIDEL-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
L-PROLINE METHYL ESTER MONOHYDROCHLORIDENSC 617316NSC-617316METHYL PROLINE HYDROCHLORIDE, (S)-L-PROLINE, METHYL ESTER, HYDROCHLORIDEMETHYL PROLINATE HYDROCHLORIDE, (-)-(2s)-(methoxycarbonyl)pyrrolidine hydrochloridePROLINE, METHYL ESTER, HYDROCHLORIDE, L-
Database identifiers
- CAS
2133-40-6- PubChem CID
- 2733200
- UNII
- 7LWL7P890M
- EC Number
- 218-363-0
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- 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
- InChIKey
- HQEIPVHJHZTMDP-JEDNCBNOSA-N
- SMILES
- Cl[H].[H][C@]1(CCCN1)C(=O)OC
- CAS DataBase Reference
- 2133 · 2133-40-6(CAS DataBase Reference)
- FDA UNII
- 7 LWL7P890M · 7LWL7P890M
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- F
- 3 · 3-8-10-21
- Hazard Note
- Harmful
- HS Code
- 29189900 · 29189900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (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.
Hazard information
Regulatory InformationL-Proline, methyl ester, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (98.7%)
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
Suppliers50 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
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上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
Related reactions
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