N-(tert-Butoxycarbonyl)glycin

N-(tert-butoxycarbonyl)glycine

HCID 78288CAS 4530-20-5

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)NCC(=O)O
InChIKey: VRPJIFMKZZEXLR-UHFFFAOYSA-N
Summenformel: C7H13NO4
Durchschnittliche Molmasse: 175,18 g/mol
Monoisotopische Masse: 175,0844579

Namen und Bezeichner

Bevorzugter Name: N-(tert-butoxycarbonyl)glycine
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Lokaler Name: N-(tert-Butoxycarbonyl)glycin
Englischer Name: BOC-Glycine
Summenformel: C7H13NO4
Molmasse: 175.18

Namen und Synonyme

Boc-glycine4530-20-5N-(tert-Butoxycarbonyl)glycineGlycine, N-[(1,1-dimethylethoxy)carbonyl]-DTXSID2063509Glycine, N-((1,1-dimethylethoxy)carbonyl)-RefChem:120840DTXCID6040400224-864-5Boc-Gly-OHN-Boc-glycinet-Butoxycarbonylglycine

Weitere Namen anzeigen

BOC-GLYBoc-gBOC-L-GLY-OHBOC-GLYCINE-OHBoc-glycinTBOC-GLYCINEGLYCINE-N-T-BOC

2-((tert-butoxycarbonyl)amino)acetic acid(tert-butoxycarbonyl)glycine2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acidtert-Butoxycarbonylglycinetert-ButyloxycarbonylglycineN-t-Butyloxycarbonyl glycineN-tert-ButyloxycarbonylglycineMFCD00002690

Datenbank-Bezeichner

CAS: 4530-20-5
PubChem CID: 78288
DTXSID: DTXSID2063509
ChEMBL: CHEMBL508605
EC Number: 224-864-5
Nikkaji: J57.777D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 182

Physikochemische Eigenschaften

Schmelzpunkt: 86 · 86-89 °C(lit.)
Siedepunkt: 306.47 °C · 306.47°C (rough estimate)
Dichte: 1.2843 · 1.2843 (rough estimate)
Brechungsindex: 1.4353 · 1.4353 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Powder
pka: 4 · 4.00±0.10(Predicted)
Farbe: White to off-white
Wasserlöslichkeit: soluble
BRN: 1101514 · 1101514
Major Application: peptide synthesis
InChI: InChI=1S/C7H13NO4/c1-7(2,3)12-6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)
InChIKey: VRPJIFMKZZEXLR-UHFFFAOYSA-N
SMILES: C(O)(=O)CNC(OC(C)(C)C)=O
CAS Datenbank: 4530 · 4530-20-5(CAS DataBase Reference)
EPA chemische Informationen: Glycine, N-[(1,1-dimethylethoxy)carbonyl]- (4530-20-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 38.4% (38 of 99) of reports.

Danger

H302 (53.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (61.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 99 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 38 of 99 reports by companies.；There are 4 notifications provided by 61 of 99 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.