Methyl-L-prolinathydrochlorid

methyl L-prolinate hydrochloride

HCID 2733200CAS 2133-40-6

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Grundinformationen

Standard-SMILES: COC(=O)[C@@H]1CCCN1.Cl
InChIKey: HQEIPVHJHZTMDP-JEDNCBNOSA-N
Summenformel: C6H12ClNO2
Durchschnittliche Molmasse: 165,62 g/mol

Namen und Bezeichner

Bevorzugter Name: methyl L-prolinate hydrochloride
IUPAC: methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
Lokaler Name: Methyl-L-prolinathydrochlorid
Englischer Name: Methyl L-prolinate hydrochloride
Summenformel: C6H12ClNO2
Molmasse: 165.62

Namen und Synonyme

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

Weitere Namen anzeigen

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-

Datenbank-Bezeichner

CAS: 2133-40-6
PubChem CID: 2733200
UNII: 7LWL7P890M
EC Number: 218-363-0

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 114

Physikochemische Eigenschaften

Schmelzpunkt: 69 · 69-71 °C(lit.)
Siedepunkt: 55 °C · 55 °C / 11mmHg
Dichte: 1.1426 · 1.1426 (rough estimate)
Brechungsindex: -31.5 ° · -31.5 ° (C=1, H2O)
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Chloroform, Methanol (Slightly), Water (slightly)
Aggregatzustand: Crystalline Powder, Crystals, and/or Chunks
Farbe: White
BRN: 3596045 · 3596045
Stabilität: 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 Datenbank: 2133 · 2133-40-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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%)