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

BOC-GLN · BOC-L-GLUTAMINE · BOC-L-GLN · BOC-L-GLN-OH · n-OH · NSC 334370 · BOC-GLUTAMINE · Boc-Gln-OH 98%

Identifikatoren & physikalische Daten

CAS No.	13726-85-7
Summenformel	C10H18N2O5
Durchschnittliche Molmasse	246,26 g/mol
Monoisotopische Masse	246,12157168 g/mol
SMILES	CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIKey	VVNYDCGZZSTUBC-LURJTMIESA-N
PubChem CID	83687
EC No.	237-296-8
DTXSID	DTXSID30884633
Lokaler Name	N2-[(tert-Butoxy)carbonyl]-L-glutamin

XLogP	-0,2
Polarare Oberfläche (TPSA)	119
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	7
Schwere Atome	17
Formalladung	0
Komplexität	308
Schmelzpunkt	113-116 °C (dec.)(lit.)
Siedepunkt	389.26°C (rough estimate)
Dichte	1.2430 (rough estimate)
Brechungsindex	-4 ° (C=2, EtOH)
Lagerbedingungen	Sealed in dry,2-8°C
Löslichkeit	Soluble in DMSO and methanol. Soluble in 1 mmole in 2 ml DMF.
Aggregatzustand	Solid
pKa (Säurekonstante)	3.84±0.10(Predicted)
Farbe	White
BRN	2127805
Hauptanwendungen	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	13726-85-7(CAS DataBase Reference)
EPA chemische Informationen	L-Glutamine, N2-[(1,1-dimethylethoxy)carbonyl]- (13726-85-7)

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.WarningH315 (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.
Hazard Classes and Categories	Skin Irrit. 2 (25%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29241990
Sicherheitshinweise (S)	22-24/25
Lagerklasse	11 - Combustible Solids

Protected Glutamine.