CAS 79990-15-1 (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid (HCID 2724627)

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Grundinformationen

CAS: 79990-15-1
Standard-SMILES: C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: QWXZOFZKSQXPDC-LLVKDONJSA-N
Summenformel: C18H17NO4
Durchschnittliche Molmasse: 311,3 g/mol
Monoisotopische Masse: 311,11575802

Namen und Bezeichner

Bevorzugter Name: (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid
IUPAC: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Englischer Name: FMOC-D-alanine
Summenformel: C18H17NO4
Molmasse: 311.33

Namen und Synonyme

n-(9-fluorenylmethoxycarbonyl)-d-alanine(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid(2R)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)propanoic acidRefChem:396916616-764-9Fmoc-D-Ala-OH79990-15-1Fmoc-D-alanineN-Fmoc-D-alanine(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acidMFCD00062960D-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

Weitere Namen anzeigen

FMOC-D-ALAFMOC-D-ALA-OH H2O2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-PROPIONIC ACIDN-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-D-ALANINE HYDRATE(R)-2-((((9H-fluoren-9-yl)Methoxy)carbonyl)aMino)propanoic acidFmoc-D-ALFomc-D-Ala-OHFMOC-D-ALA H2O

(((9H-Fluoren-9-yl)methoxy)carbonyl)-D-alanineN-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-alanineM03348(r)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-propionic acidFmoc- D-Alanine(r)-n-fmoc-alanine(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acidFMOC-D-ALANINE-OH

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 23
Formalladung: 0
Komplexität: 430

Physikochemische Eigenschaften

Schmelzpunkt: 151 · 151-155 °C
Siedepunkt: 544.1 · 544.1±33.0 °C(Predicted)
Dichte: 1.282 · 1.282±0.06 g/cm3(Predicted)
Brechungsindex: 19 ° · 19 ° (C=1, DMF)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMF (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 3.91 · 3.91±0.10(Predicted)
Farbe: White to Off-White
Wasserlöslichkeit: Soluble in dimethylformamide (1 mole in 2 ml). Insoluble in water.
BRN: 8025133 · 8025133
Major Application: peptide synthesis
InChI: 1S/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKey: QWXZOFZKSQXPDC-LLVKDONJSA-N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (25%)；Eye Irrit. 2A (25%)；STOT SE 3 (25%)

Sicherheitsdaten

wgk: 3
hs_code: 29224999
safety_code: 22-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenN-Fmoc-D-alanine is potentially useful for proteomics studies and solid phase peptide synthesis techniques. It is also essential for the biosynthesis of peptidoglycan cross linking sub-units that are used for bacterial cell walls.