(alphaR)-alpha-Amino-4-pyridinepropanoic acid
Grundinformationen
- CAS
37535-50-5- Standard-SMILES
N[C@H](Cc1ccncc1)C(=O)O- InChIKey
FQFVANSXYKWQOT-SSDOTTSWSA-N- Summenformel
- C8H10N2O2
- Durchschnittliche Molmasse
- 166,18 g/mol
- Monoisotopische Masse
- 166,07422756
Namen und Bezeichner
- Bevorzugter Name
- (alphaR)-alpha-Amino-4-pyridinepropanoic acid
- IUPAC
- (2R)-2-amino-3-pyridin-4-ylpropanoic acid
- Englischer Name
- D-4-Pyridylalanine
- Summenformel
- C8H10N2O2
- Molmasse
- 166.18
Namen und Synonyme
D-4-PYRIDYLALANINEDTXSID201288560(alphaR)-alpha-Amino-4-pyridinepropanoic acidRefChem:405711DTXCID501719196838-336-237535-50-53-(4-Pyridyl)-D-alanine(R)-2-Amino-3-(pyridin-4-yl)propanoic acid(2R)-2-amino-3-(pyridin-4-yl)propanoic acidMFCD01860874(2R)-2-amino-3-pyridin-4-ylpropanoic acid
Weitere Namen anzeigen
D-4-Pal-OH4'-PYRIDYL-D-ALAH-D-4-Pal-OH·2HCH-D-ALA(4-PYRI)-OHRARECHEM BK PT 0242D-Ala(4'-pyridyl)-OHH-D-ALA(4-PYRIDYL)-OHH-D-ALA(4'-PYRIDYL)-OHD-4-PYRIDYLALANINE 98%
4-Pyridylalanine, D-DQJ6W06CEK(2R)-2-azaniumyl-3-pyridin-4-ylpropanoate3-(4-pyridinyl)alanineCID 7009692D-4-PalUNII-DQJ6W06CEK(2R)-2-amino-3-(4-pyridyl)propanoic acid
Datenbank-Bezeichner
- CAS
37535-50-5- PubChem CID
- 7009693
- DTXSID
DTXSID201288560
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,6
- Polarare Oberfläche (TPSA)
- 76,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 155
Physikochemische Eigenschaften
- Schmelzpunkt
- 280 °C · 280 °C (decomp)
- Siedepunkt
- 346.4 · 346.4±32.0 °C(Predicted)
- Dichte
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder
- pka
- 1.95 · 1.95±0.10(Predicted)
- Farbe
- White to off-white
- BRN
- 4351586 · 4351586
- Major Application
- peptide synthesis
- InChI
- 1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m1/s1
- InChIKey
- FQFVANSXYKWQOT-SSDOTTSWSA-N
- SMILES
- N[C@H](Cc1ccncc1)C(O)=O
- CAS Datenbank
- 37535 · 37535-50-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933399990
- hazard_code
- Xi
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden3-(4-Pyridyl)-D-alanine is a derivative of alanine (A480995) which is an amino acid that is commonly found in bacteria, such as Streptococcus faecalis. Alanine is essential for the biosynthesis of peptidoglycan crosslinking sub-units that are used for bacterial cell walls. D-Alanine is also known to cause cytotoxic oxidative stress in brain tumour cells.
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