Grundinformationen
- Standard-SMILES
NC(Cc1cccs1)C(=O)O- InChIKey
WTOFYLAWDLQMBZ-UHFFFAOYSA-N- Summenformel
- C7H9NO2S
- Durchschnittliche Molmasse
- 171,22 g/mol
- Monoisotopische Masse
- 171,0353997
Namen und Bezeichner
- Bevorzugter Name
- 2-Thienylalanine
- IUPAC
- 2-amino-3-thiophen-2-ylpropanoic acid
Namen und Synonyme
2021-58-12-Thiophenealanine2-ThienylalanineNSC 7546ZK0RDK1XBbeta-2-Thienyl-DL-alanineX 151EINECS 205-378-2alpha-Amino-2-thiophenepropanoic acidNSC-754EINECS 217-967-12-Thiophenepropionic acid, alpha-amino-
Weitere Namen anzeigen
DTXSID10862813DL-3-(2-THIENYL)ALANINE.BETA.-2-THIENYL-DL-ALANINEbeta2dlThienylalanine3(2Thienyl)DLalanineRefChem:483738DTXCID20218509alpha-aminothiophene propanoic acid
Datenbank-Bezeichner
- CAS
139-86-6、2021-58-1- PubChem CID
- 91444
- DTXSID
DTXSID10862813- ChEBI
CHEBI:233112- UNII
- 6ZK0RDK1XB
- EC Number
- 217-967-1
- Nikkaji
- J59.668J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,7
- Polarare Oberfläche (TPSA)
- 91,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 151
Experimentelle und physikochemische Eigenschaften
Physical DescriptionFaintly beige powder; [Sigma-Aldrich MSDS]
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；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, 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 38 reports by companies from 1 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
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
21
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