Grundinformationen
- Standard-SMILES
O=C(N[C@@H](CCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
CIHPCIUGLIZADU-QHCPKHFHSA-N- Summenformel
- C25H23NO4
- Durchschnittliche Molmasse
- 401,5 g/mol
- Monoisotopische Masse
- 401,16270822
Namen und Bezeichner
- Bevorzugter Name
- (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-phenylbutanoic acid
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylbutanoic acid
- Englischer Name
- Fmoc-L-homophenylalanine
- Summenformel
- C25H23NO4
- Molmasse
- 401.46
Namen und Synonyme
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-phenylbutanoic acid(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-phenylbutanoic acidRefChem:397919844-853-4Fmoc-L-homophenylalanine132684-59-4FMOC-HOPHE-OHFmoc-Homophe-OH(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylbutanoic acid(s)-n-fmoc-homophenylalanineMFCD00077046Fmoc-HPhe-OH
Weitere Namen anzeigen
HomoPheFMOC-HOMOPHENYLALANINEFMoc-HpheFMOC-L-HPHEFMOC-HPH-OHFMOC-HFE-OHFMOC-HOMOPHEFmoc-HoPhe-PH
(S)-2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-4-PHENYLBUTANOIC ACID(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenylbutanoic acidN-FMOC-L-HOMOPHENYLALANINEBenzenebutanoic acid, alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (alphaS)-HY-W009005(S)-2-(Fmoc-amino)-4-phenylbutyric acidFmoc-L-HomoPhe-OHFMOC-L-HOMOPHE
Datenbank-Bezeichner
- CAS
132684-59-4- PubChem CID
- 2761467
- DTXSID
DTXSID20375787- EC Number
- 844-853-4
- Nikkaji
- J1.112.241H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5
- Polarare Oberfläche (TPSA)
- 75,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 566
Physikochemische Eigenschaften
- Schmelzpunkt
- 141 to · 141.0 to 145.0 °C
- Siedepunkt
- 628.3 · 628.3±50.0 °C(Predicted)
- Dichte
- 1.254 · 1.254
- storage temp.
- 2 · 2-8°C
- pka
- 3.84 · 3.84±0.10(Predicted)
- Aggregatzustand
- White solid.
- Farbe
- White to Almost white
- Wasserlöslichkeit
- Slightly soluble in water.
- BRN
- 4847669 · 4847669
- Major Application
- peptide synthesis
- InChI
- InChI=1/C25H23NO4/c27-24(28)23(15-14-17-8-2-1-3-9-17)26-25(29)30-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)/t23-/s3
- InChIKey
- CIHPCIUGLIZADU-CRPMJUFNNA-N
- SMILES
- C1(COC(=O)N[C@H](C(=O)O)CCC2C=CC=CC=2)C2C=CC=CC=2C2C=CC=CC1=2 |&1:6,r|
- CAS Datenbank
- 132684 · 132684-59-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2924 29 70
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-44-35-28-7-4
- hazard_class
- IRRITANT
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenIt is used as an active pharmaceutical intermediate.
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