Grundinformationen
- Standard-SMILES
CC[C@@H](N)C(=O)O- InChIKey
QWCKQJZIFLGMSD-GSVOUGTGSA-N- Summenformel
- C4H9NO2
- Durchschnittliche Molmasse
- 103,12 g/mol
- Monoisotopische Masse
- 103,06332853
Namen und Bezeichner
- Bevorzugter Name
- D-Alpha-aminobutyric acid
- IUPAC
- (2R)-2-aminobutanoic acid
- Lokaler Name
- D-(-)-2-Aminobuttersure
- Englischer Name
- D-2-Aminobutyric acid
- Summenformel
- C4H9NO2
- Molmasse
- 103.12
Namen und Synonyme
2623-91-8D-(-)-2-Aminobutyric acidD-alpha-aminobutyric acidButanoic acid, 2-amino-, (2R)-D-Butyrine(r)-2-aminobutyric acidD-EthylglycineD-2-Aminobuttersaeure(2R)-2-aminobutyric acidEINECS 220-084-4CHEBI:28797DTXSID701314996
Weitere Namen anzeigen
R-AMINOBUTYRIC ACIDH-D-Aib-OHD-2-AbuH-D-2-ABU-OHH-D-ABU(2)-OH
RefChem:581608DTXCID201744914220-084-4D-2-Aminobutyric acid(R)-2-Aminobutanoic acidH-D-Abu-OH(2R)-2-aminobutanoic acid(R)-(-)-2-Aminobutyric acid
Datenbank-Bezeichner
- CAS
2623-91-8- PubChem CID
- 439691
- DTXSID
DTXSID701314996- ChEMBL
CHEMBL553426- ChEBI
CHEBI:28797- UNII
- G9ZRL3F2M6
- EC Number
- 220-084-4
- Nikkaji
- J1.815E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,5
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 72
Experimentelle und physikochemische Eigenschaften
Solubility278 mg/mL
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C (lit.)
- Siedepunkt
- 215.2 · 215.2±23.0 °C(Predicted)
- Dichte
- 1.23 · 1.2300 (estimate)
- Brechungsindex
- 1.465 · 1.4650 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- soluble
- Aggregatzustand
- Crystalline Powder
- pka
- 2.34 · 2.34±0.10(Predicted)
- Farbe
- White
- Wasserlöslichkeit
- soluble
- BRN
- 1720934 · 1720934
- Major Application
- peptide synthesis
- InChI
- 1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
- InChIKey
- QWCKQJZIFLGMSD-GSVOUGTGSA-N
- SMILES
- CC[C@@H](N)C(O)=O
- LogP
- -0.064 · -0.064 (est)
- CAS Datenbank
- 2623 · 2623-91-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+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.；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
Regulatory InformationButanoic acid, 2-amino-, (2R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1 (50%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Regulatorische Informationen
Regulatory InformationButanoic acid, 2-amino-, (2R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29224999
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
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