Carbobenzoxyglycylglycine

Z-GLY-GLY-OH · Cbz-Gly-Gly-OH · Z-GLY-GLY · CBZ-GLY-GLY · N-CBZ-GLY-GLY · Z-GLYCYL GLYCINE · AKOS BBS-00007676 · N-CBZ-GLYCYLGLYCINE

Identifikatoren & physikalische Daten

CAS No.	2566-19-0
Summenformel	C12H14N2O5
Durchschnittliche Molmasse	266,25 g/mol
Monoisotopische Masse	266,09027155 g/mol
SMILES	O=C(O)CNC(=O)CNC(=O)OCc1ccccc1
InChIKey	VFRCXEHNAFUTQC-UHFFFAOYSA-N
PubChem CID	95686
ChEMBL	CHEMBL3810057
EC No.	802-238-8
DTXSID	DTXSID00180356

XLogP	0,4
Polarare Oberfläche (TPSA)	105
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	7
Schwere Atome	19
Formalladung	0
Komplexität	326
Schmelzpunkt	178 °C
Siedepunkt	587.2±45.0 °C(Predicted)
Dichte	1.323±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Very Slightly, Heated)
pKa (Säurekonstante)	3.41±0.10(Predicted)
Aggregatzustand	Solid
Farbe	White to Off-White
InChI	InChI=1S/C12H14N2O5/c15-10(13-7-11(16)17)6-14-12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,18)(H,16,17)
InChIKey	VFRCXEHNAFUTQC-UHFFFAOYSA-N
SMILES	C(O)(=O)CNC(=O)CNC(OCC1=CC=CC=C1)=O
CAS Datenbank	2566-19-0(CAS DataBase Reference)

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH315 (66.7%): 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.
Regulatorische Informationen	Glycine, N-N-(phenylmethoxy)carbonylglycyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (66.7%)
Zollcode	29242990
Gefahrenklasse	IRRITANT