N-((4-Methylphenyl)sulfonyl)glycine
Grundinformationen
- CAS
1080-44-0- Standard-SMILES
Cc1ccc(S(=O)(=O)NCC(=O)O)cc1- InChIKey
VDKFCCZUCXYILI-UHFFFAOYSA-N- Summenformel
- C9H11NO4S
- Durchschnittliche Molmasse
- 229,26 g/mol
- Monoisotopische Masse
- 229,04087901
Namen und Bezeichner
- Bevorzugter Name
- N-((4-Methylphenyl)sulfonyl)glycine
- IUPAC
- 2-[(4-methylphenyl)sulfonylamino]acetic acid
- Englischer Name
- N-P-TOSYLGLYCINE
- Summenformel
- C9H11NO4S
- Molmasse
- 229.25
Namen und Synonyme
N-p-Tosylglycine1080-44-0N-[(4-methylphenyl)sulfonyl]glycineN-4-TosylglycineDTXSID00148355N-((4-Methylphenyl)sulfonyl)glycineRefChem:828540DTXCID7070846Tos-Gly-OHN-TosylglycineGlycine, N-[(4-methylphenyl)sulfonyl]-N-(p-Toluenesulfonyl)glycine
Weitere Namen anzeigen
Tos-GlyAURORA 963N-TOS-Gly-OHN-p-Tosylglycine 97%Tosylaminoacetic acidOTAVA-BB BB0123400526
2-(4-Methylphenylsulfonamido)acetic acidMFCD000458982-[(4-methylphenyl)sulfonylamino]acetic acid(Toluene-4-sulfonylamino)-acetic acidGlycine, N-p-toluenesulfonyl-CHEMBL2874862-{[(4-methylphenyl)sulfonyl]amino}acetic acidHY-W053699
Datenbank-Bezeichner
- CAS
1080-44-0- PubChem CID
- 70653
- DTXSID
DTXSID00148355- ChEMBL
CHEMBL287486- EC Number
- 625-711-9
- Nikkaji
- J228.117A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 91,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 311
Physikochemische Eigenschaften
- Schmelzpunkt
- 147 · 147-149 °C (lit.)
- Siedepunkt
- 430 · 430.0±55.0 °C(Predicted)
- Dichte
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 3.41 · 3.41±0.10(Predicted)
- Farbe
- White
- Major Application
- peptide synthesis
- InChI
- 1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
- InChIKey
- VDKFCCZUCXYILI-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cc1)S(=O)(=O)NCC(O)=O
- CAS Datenbank
- 1080 · 1080-44-0(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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): 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 40 reports by companies from 3 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 Irrit. 2 (100%)；STOT SE 3 (97.5%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2935.90.9500
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenN-Tosylglycine is a sulfonamide derivative used to synthesize metal complexes which potentially displays antibacterial activity.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017-8007 17602929471 · [email protected]
Zugehörige Reaktionen
5
HRID 1031284als Produkt39 compound library from "Building a Sulfonamide Library by Eco-Friendly Flow Synthesis"
Notizen zur Verbindung
Wird geladen…