Grundinformationen
- Standard-SMILES
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)OC(C)(C)C)C(=O)O- InChIKey
CYWWLVIEAOUXGW-FQEVSTJZSA-N- Summenformel
- C24H27NO6
- Durchschnittliche Molmasse
- 425,5 g/mol
Namen und Bezeichner
- Bevorzugter Name
- N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester
- IUPAC
- (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
- Englischer Name
- Fmoc-N-methyl-L-aspartic acid 4-tert-butyl ester
- Summenformel
- C24H27NO6
- Molmasse
- 425.48
Namen und Synonyme
152548-66-8RefChem:828981N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester802-787-3Fmoc-N-Me-Asp(OtBu)-OHFmoc-MeAsp(OtBu)-OHfmoc-n-methyl-l-aspartic acid 4-tert-butyl esterMFCD00237027(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid(2S)-4-tert-butoxy-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxo-butanoic acidFmoc-N-Me-L-Asp(OtBu)-OHFmoc-N-methyl-L-aspartic acid b-tert-butyl ester
Weitere Namen anzeigen
FMOC-L-MEASP(TBU)-OHFmoc-L-NMe-Asp(OtBu)Fmoc-N-Me-Asp(OBu)-OHFMOC-N-ME-ASP(OBUT)-OHFmoc-N-Me-L-Asp(OtBu)-OHFmoc-N-Me-Asp(OtBu)-OH 97%
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acidN-Fmoc-N-methyl-L-aspartic Acid 4-tert-Butyl Ester(S)-2-[(9H-fluoren-9-ylmethoxycarbonyl)-methyl-amino]-succinic acid 4-tert-butyl esterAM84484SCHEMBL1759730SCHEMBL29401359SCHEMBL30191555CYWWLVIEAOUXGW-FQEVSTJZSA-N
Datenbank-Bezeichner
- CAS
152548-66-8- PubChem CID
- 7019716
- EC Number
- 802-787-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 93,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 649
Physikochemische Eigenschaften
- Schmelzpunkt
- 135 · 135-140°C
- Siedepunkt
- 598.7 · 598.7±50.0 °C(Predicted)
- Dichte
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 1 % · Soluble in water or 1% acetic acid
- Aggregatzustand
- Powder
- pka
- 3.59 · 3.59±0.23(Predicted)
- Farbe
- White to off-white
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C24H27NO6/c1-24(2,3)31-21(26)13-20(22(27)28)25(4)23(29)30-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,13-14H2,1-4H3,(H,27,28)/t20-/m0/s1
- InChIKey
- CYWWLVIEAOUXGW-FQEVSTJZSA-N
- SMILES
- C(O)(=O)[C@H](CC(OC(C)(C)C)=O)N(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C
- CAS Datenbank
- 152548 · 152548-66-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAquatic Acute 1 (97.5%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2924 29 70
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenFmoc protected N-methyl amino acid suitable for solid phase peptide synthesis. N-methyl amino acids have been shown to improve proteolytic stability of peptides.
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