tert-Butoxycarbonyl-L-methionin

Boc-L-methionine

HCID 89857CAS 2488-15-5

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Grundinformationen

Standard-SMILES: CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: IMUSLIHRIYOHEV-ZETCQYMHSA-N
Summenformel: C10H19NO4S
Durchschnittliche Molmasse: 249,33 g/mol

Namen und Bezeichner

Bevorzugter Name: Boc-L-methionine
IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
Lokaler Name: tert-Butoxycarbonyl-L-methionin
Englischer Name: BOC-L-Methionine
Summenformel: C10H19NO4S
Molmasse: 249.33

Namen und Synonyme

Boc-L-methionine2488-15-5RefChem:330045Boc-Met-OHN-Boc-L-methionineBoc-L-Met-OH(TERT-BUTOXYCARBONYL)-L-METHIONINEMFCD00065586L-Methionine, N-[(1,1-dimethylethoxy)carbonyl]-N-(tert-Butoxycarbonyl)-L-methionineN-tert-butoxycarbonyl-L-methionine(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid

Weitere Namen anzeigen

BOC-MET(S)-2-((tert-butoxycarbonyl)aMino)-4-(Methylthio)butanoic acidBoc-Met-OBoc-D-Met-OH

(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-(methylsulfanyl)butanoic acid(2S)-2-[(tert-butoxy)carbonylamino]-4-methylthiobutanoic acidBoc-methionineboc-l-metN-Boc methionineMethionine, N-[(1,1-dimethylethoxy)carbonyl]-(S)-Boc-methionineN-Boc-L-Met-OH

Datenbank-Bezeichner

CAS: 2488-15-5
PubChem CID: 89857
ChEMBL: CHEMBL117467
UNII: 67R3EKW5EK
EC Number: 219-639-3
Nikkaji: J191.976H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 101 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 7
Schwere Atome: 16
Formalladung: 0
Komplexität: 250

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-50 °C(lit.)
Siedepunkt: 415.5 · 415.5±40.0 °C(Predicted)
Dichte: 1.16 · 1.160±0.06 g/cm3(Predicted)
Brechungsindex: -22 ° · -22 ° (C=1.3, AcOH)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: almost transparency in Methanol
Aggregatzustand: Powder
pka: 3.83 · 3.83±0.10(Predicted)
Farbe: White to off-white
BRN: 1727869 · 1727869
Major Application: peptide synthesis
InChI: 1S/C10H19NO4S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey: IMUSLIHRIYOHEV-ZETCQYMHSA-N
SMILES: CSCC[C@H](NC(=O)OC(C)(C)C)C(O)=O
CAS Datenbank: 2488 · 2488-15-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.

Danger

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (20%)

Sicherheitsdaten

F: 9-23
wgk: 3
hs_code: 2930 90 98
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 24/25-36-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-Boc-L-methionine is an N-Boc-protected form of L-Methionine (M260440). L-Methionine is an essential amino acid that is obtained from our diet. L-Methionine can be found in grain legumes (such as lentils), and poultry. L-Methionine’s main function is to act as the primary “Start” sequence on mRNA so that the ribosomes can start translating the mRNA into proteins.