Grundinformationen
- Standard-SMILES
CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C- InChIKey
ZDKFMHKWZATBMR-UHFFFAOYSA-N- Summenformel
- C11H21NO4
- Durchschnittliche Molmasse
- 231,29 g/mol
- Monoisotopische Masse
- 231,14705815
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl ((tert-butoxycarbonyl)amino)acetate
- IUPAC
- tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
- Englischer Name
- BOC-GLYCINE TERT-BUTYL ESTER
- Summenformel
- C11H21NO4
- Molmasse
- 231.29
Namen und Synonyme
tert-Butyl ((tert-butoxycarbonyl)amino)acetateEC 696-236-2tert-butyl [(tert-butoxycarbonyl)amino]acetateRefChem:891528696-236-2Boc-Gly-OtBu111652-20-1Boc-glycine tert-butyl estertert-Butyl 2-((tert-butoxycarbonyl)amino)acetateTert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetateN-Boc-glycine tert-Butyl EsterMFCD00191866
Weitere Namen anzeigen
N-Boc-gLN-BOC-Gly-OtBuBoc-Gly-OttBuBOC-GLYCINE T-BUTYL ESTER(Tert-Butoxy)Carbonyl Gly-OtBu
N-(tert-Butoxycarbonyl)glycine tert-butyl esterSCHEMBL125503HY-W000830N-Boc-glycine tert-butyl ester (Boc-Gly-OtBu)AMY3783Glycine, N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl esterBoc-Gly-OtBu, 99%DTXSID90399278
Datenbank-Bezeichner
- CAS
111652-20-1- PubChem CID
- 4097102
- DTXSID
DTXSID90399278- EC Number
- 696-236-2
- Nikkaji
- J1.094.898C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 64,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 260
Physikochemische Eigenschaften
- Schmelzpunkt
- 66 · 66-68 °C(lit.)
- Siedepunkt
- 306 · 306.0±25.0 °C(Predicted)
- Dichte
- 1.023 · 1.023
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- very soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 11.06 · 11.06±0.46(Predicted)
- Farbe
- White to Almost white
- Wasserlöslichkeit
- 1.05 g/L · 1.05g/L at 20℃
- BRN
- 5002580 · 5002580
- Major Application
- peptide synthesis
- InChI
- 1S/C11H21NO4/c1-10(2,3)15-8(13)7-12-9(14)16-11(4,5)6/h7H2,1-6H3,(H,12,14)
- InChIKey
- ZDKFMHKWZATBMR-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C
- LogP
- 2.21 at · 2.21 at 25℃
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 16-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16443
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29241990
- risk_code
- 22-51
- hazard_code
- Xn
- safety_code
- 20/21-29/56
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
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