N2-[(tert-Butoxy)carbonyl]-L-glutamin

L-Glutamine, N2-((1,1-dimethylethoxy)carbonyl)-

HCID 83687

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Grundinformationen

CAS: 13726-85-7
Standard-SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIKey: VVNYDCGZZSTUBC-LURJTMIESA-N
Summenformel: C10H18N2O5
Durchschnittliche Molmasse: 246,26 g/mol
Monoisotopische Masse: 246,12157168

Namen und Bezeichner

Bevorzugter Name: L-Glutamine, N2-((1,1-dimethylethoxy)carbonyl)-
IUPAC: (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Lokaler Name: N2-[(tert-Butoxy)carbonyl]-L-glutamin
Englischer Name: N-(tert-Butoxycarbonyl)-L-glutamine
Summenformel: C10H18N2O5
Molmasse: 246.26

Namen und Synonyme

Boc-L-glutamineN2-tert-Butoxycarbonyl-L-glutamineN2-tert-Butyloxycarbonyl-L-glutamineL-Glutamine, N2-[(1,1-dimethylethoxy)carbonyl]-EINECS 237-296-8N2-((1,1-Dimethylethoxy)carbonyl)-L-glutamineNalpha-tert-Butoxycarbonyl-L-glutamineNSC 334370Glutamine, N2-carboxy-, N2-tert-butyl ester, L-N(alpha)-tert-Butoxycarbonyl-L-glutamineDTXSID30884633N2-[(1,1-Dimethylethoxy)carbonyl]-L-glutamine

Weitere Namen anzeigen

BOC-GLNBOC-L-GLNBOC-L-GLN-OHn-OHBOC-GLUTAMINEBoc-Gln-OH 98%TBOC-L-GLUTAMINEN-t-BOC-L-Gln-OH

L-Glutamine, N2-((1,1-dimethylethoxy)carbonyl)-N2-((tert-Butoxy)carbonyl)-L-glutamineN2-[(tert-butoxy)carbonyl]-L-glutamineRefChem:796331DTXCID001024063Glutamine, N2-carboxy-, N2-tert-butyl ester, L-(8CI)237-296-8Boc-Gln-OH

Datenbank-Bezeichner

CAS: 13726-85-7
PubChem CID: 83687
DTXSID: DTXSID30884633
UNII: 596K674KAF
EC Number: 237-296-8
Nikkaji: J278.018F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 119 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 7
Schwere Atome: 17
Formalladung: 0
Komplexität: 308

Physikochemische Eigenschaften

Schmelzpunkt: 113 · 113-116 °C (dec.)(lit.)
Siedepunkt: 389.26 °C · 389.26°C (rough estimate)
Dichte: 1.243 · 1.2430 (rough estimate)
Brechungsindex: -4 ° · -4 ° (C=2, EtOH)
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: 1 mmole · Soluble in DMSO and methanol. Soluble in 1 mmole in 2 ml DMF.
Aggregatzustand: Solid
pka: 3.84 · 3.84±0.10(Predicted)
Farbe: White
BRN: 2127805 · 2127805
Major Application: peptide synthesis
InChI: InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1
InChIKey: VVNYDCGZZSTUBC-LURJTMIESA-N
SMILES: C(O)(=O)[C@H](CCC(N)=O)NC(OC(C)(C)C)=O
CAS Datenbank: 13726 · 13726-85-7(CAS DataBase Reference)
EPA chemische Informationen: 2 · L-Glutamine, N2-[(1,1-dimethylethoxy)carbonyl]- (13726-85-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.