N-Benzyloxycarbonylglycin

Benzyloxycarbonylglycine

HCID 14349CAS 1138-80-3

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Grundinformationen

Standard-SMILES: O=C(O)CNC(=O)OCc1ccccc1
InChIKey: CJUMAFVKTCBCJK-UHFFFAOYSA-N
Summenformel: C10H11NO4
Durchschnittliche Molmasse: 209,2 g/mol
Monoisotopische Masse: 209,06880783

Überblick

N-benzyloxycarbonylglycine is a derivative of glycine having a benzyloxycarbonyl protecting group attached to the nitrogen. It is a conjugate acid of a N-benzyloxycarbonylglycinate.

Namen und Bezeichner

Bevorzugter Name: Benzyloxycarbonylglycine
IUPAC: 2-(phenylmethoxycarbonylamino)acetic acid
Lokaler Name: N-Benzyloxycarbonylglycin
Englischer Name: N-Carbobenzyloxyglycine
Summenformel: C10H11NO4
Molmasse: 209.2

Namen und Synonyme

1138-80-3N-BenzyloxycarbonylglycineN-CBZ-glycineN-CarbobenzoxyglycineCarbobenzyloxyglycineCarbobenzoxyglycine(Cbz)glyBenzyloxycarbonylglycineGlycine, N-[(phenylmethoxy)carbonyl]-Z-Gly2-(phenylmethoxycarbonylamino)acetic acidCarbobenzoxyl glycine

Weitere Namen anzeigen

Z-GLY-OHCBZ-GLY-OHZ-GLYCINECBZ-GLYCINE

N-Carboxyglycine N-benzyl esterN-((Phenylmethoxy)carbonyl)glycineCBZ-GLYNSC-2526Glycine, N-((phenylmethoxy)carbonyl)-8H79QYG43GDTXSID8061559CHEBI:16532

Datenbank-Bezeichner

CAS: 1138-80-3
PubChem CID: 14349
DTXSID: DTXSID8061559
ChEMBL: CHEMBL101287
ChEBI: CHEBI:16532
UNII: 8H79QYG43G
EC Number: 214-516-0
Nikkaji: J80.195J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 15
Formalladung: 0
Komplexität: 223

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

LogP1.47

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 118 · 118-122 °C(lit.)
Siedepunkt: 348.55 °C · 348.55°C (rough estimate)
Dichte: 1.2944 · 1.2944 (rough estimate)
Brechungsindex: 1.54 · 1.5400 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 0.1 g/mL, · methanol: 0.1 g/mL, clear
Aggregatzustand: Fine Crystalline Powder
pka: 3.98 · 3.98±0.10(Predicted)
Farbe: White
Wasserlöslichkeit: Soluble in methanol. Insoluble in water.
BRN: 526877 · 526877
Major Application: peptide synthesis
InChI: InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
InChIKey: CJUMAFVKTCBCJK-UHFFFAOYSA-N
SMILES: C(O)(=O)CNC(OCC1=CC=CC=C1)=O
CAS Datenbank: 1138 · 1138-80-3(CAS DataBase Reference)
EPA chemische Informationen: Glycine, N-[(phenylmethoxy)carbonyl]- (1138-80-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 66.7% (6 of 9) 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 9 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 16-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27346

Glycine, N-(phenylmethoxy)carbonyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Reproductive effects observed in experimental animals; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29242995
RTECS-Nr.: MB9129000
risk_code: 62-36/37/38-20/21/22
Toxizität: mouse,LD50,intravaginal,380mg/kg (380mg/kg),Journal of Pharmaceutical Sciences. Vol. 68, Pg. 696, 1979.
hazard_code: Xn
safety_code: 24/25-36-26
Speicherklasse: 11 - Combustible Solids