Grundinformationen
- Standard-SMILES
NCCC(=O)NC(CO)C(=O)O- InChIKey
IEWBBVZHEXCSSS-UHFFFAOYSA-N- Summenformel
- C6H12N2O4
- Durchschnittliche Molmasse
- 176,17 g/mol
- Monoisotopische Masse
- 176,07970687
Namen und Bezeichner
- Bevorzugter Name
- Beta-alanyl-L-serine
- IUPAC
- 2-(3-aminopropanoylamino)-3-hydroxypropanoic acid
- Englischer Name
- beta-Alanyl-L-serine
- Summenformel
- C6H12N2O4
- Molmasse
- 176.17
Namen und Synonyme
BETA-ALANYL-L-SERINERefChem:56722783550-13-4668-975-0AKOS010402701L-Serine, N-β-alanyl- (9CI)
Datenbank-Bezeichner
- CAS
83550-13-4- PubChem CID
- 5081862
- EC Number
- 668-975-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -4,8
- Polarare Oberfläche (TPSA)
- 113 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 171
Physikochemische Eigenschaften
- Siedepunkt
- 515.3 · 515.3±50.0 °C(Predicted)
- Dichte
- 1.358 · 1.358±0.06 g/cm3(Predicted)
- pka
- 2.98 · 2.98±0.10(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Alarmwort
- Achtung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315
Chemie und Industrie
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