Methyl L-tert-leucinate hydrochloride

HCID 16217630CAS 63038-27-7

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Grundinformationen

Standard-SMILES: COC(=O)[C@@H](N)C(C)(C)C.Cl
InChIKey: HRTQWUHFSXVRPY-NUBCRITNSA-N
Summenformel: C7H16ClNO2
Durchschnittliche Molmasse: 181,66 g/mol
Monoisotopische Masse: 181,08695643

Namen und Bezeichner

Bevorzugter Name: Methyl L-tert-leucinate hydrochloride
IUPAC: methyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
Englischer Name: L-tert-Leucine methyl ester hydrochloride
Summenformel: C7H16ClNO2
Molmasse: 181.66

Namen und Synonyme

L-tert-Leucine methyl ester hydrochloride63038-27-7methyl (2S)-2-amino-3,3-dimethylbutanoate hydrochloridemethyl L-tert-leucinate hydrochlorideLIZ1L06TSFL-Valine, 3-methyl-, methyl ester, hydrochloride (1:1)RefChem:817826613-136-6H-Tle-OMe.HClMFCD00040604(S)-methyl 2-amino-3,3-dimethylbutanoate hydrochlorideL-tert-Leucine methyl ester, HCl

Weitere Namen anzeigen

methyl (S)-2-amino-3,3-dimethylbutanoate hydrochlorideL-Tle-OMe·HClH-Tert-Leu-Ome.HCLL-tert-leucine MethyL-TERT-LEUCINE-OME HClL-(+)-methyl-tert-leucinateHCl3-dimethylbutanoate hydrochloride3-Methyl-L-valine methyl ester HClL-tertaminoacidmethyl esterhydrochloride

(S)-2-Amino-3,3-dimethylbutyric Acid Methyl Ester Hydrochloridemethyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloridemethyl 3-methyl-L-valinate hydrochlorideMethyl (S)-2-Amino-3,3-dimethylbutyrate Hydrochloride3-Methyl-L-valine Methyl Ester Hydrochloride; L-tert-Butylglycine Methyl Ester Hydrochloride; Methyl (2S)-2-Amino-3,3-dimethylbutanoate Hydrochloride; Methyl (S)-2-Amino-3,3-dimethylbutanoate HydrochlorideL-Tle-Ome.HCIL-TERT-LEUCINE METHYL ESTER HCLUNII-LIZ1L06TSF

Datenbank-Bezeichner

CAS: 63038-27-7
PubChem CID: 16217630
DTXSID: DTXSID70584463
UNII: LIZ1L06TSF
EC Number: 613-136-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Schmelzpunkt: 183 · 183-186 °C
Brechungsindex: 16.5 ° · 16.5 ° (C=1, MeOH)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Aggregatzustand: Solid
Farbe: White
BRN: 4879785 · 4879785
Major Application: cell analysispeptide synthesis
InChI: InChI=1/C7H15NO2.ClH/c1-7(2,3)5(8)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/s3
InChIKey: HRTQWUHFSXVRPY-USHJBNIQNA-N
SMILES: [C@@H](N)(C(=O)OC)C(C)(C)C.Cl |&1:0,r|
CAS Datenbank: 63038 · 63038-27-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.