Grundinformationen
- Standard-SMILES
CCOC(=O)CNc1ccccc1- InChIKey
MLSGRWDEDYJNER-UHFFFAOYSA-N- Summenformel
- C10H13NO2
- Durchschnittliche Molmasse
- 179,22 g/mol
- Monoisotopische Masse
- 179,09462866
Namen und Bezeichner
- Bevorzugter Name
- N-Phenylglycine ethyl ester
- IUPAC
- ethyl 2-anilinoacetate
- Lokaler Name
- Ethyl-N-phenylglycinat
- Englischer Name
- N-Phenylglycine ethyl ester
- Summenformel
- C10H13NO2
- Molmasse
- 179.22
Namen und Synonyme
N-Phenylglycine ethyl ester2216-92-4ethyl 2-(phenylamino)acetateEthyl phenylglycinateEthyl N-phenylglycinateGlycine, N-phenyl-, ethyl esterphenylglycine ethyl esterUNII-7XL9T8BK0U7XL9T8BK0UEINECS 218-702-2AI3-09020DTXSID0062264
Weitere Namen anzeigen
ETHYL ANILINOACETATEN-Phenylglycine ethylethyl2-anilinoacetaten-phenyl-glycinethylesterN-Phenylglycine Ethyl EsteN-PhenylglycineEthylEster>ANILINOACETIC ACID ETHYL ESTER
N-PHENYLGLYCINE ETHYL ESTER [MI]RefChem:164114DTXCID1036626218-702-2MLSGRWDEDYJNER-UHFFFAOYSA-Nethyl 2-anilinoacetateAnilinoacetic Acid Ethyl EsterMFCD00038315
Datenbank-Bezeichner
- CAS
2216-92-4- PubChem CID
- 75190
- DTXSID
DTXSID0062264- UNII
- 7XL9T8BK0U
- EC Number
- 218-702-2
- Nikkaji
- J136.971G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 38,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 153
Physikochemische Eigenschaften
- Schmelzpunkt
- 53 · 53-56 °C
- Siedepunkt
- 140 °C · 140 °C / 8mmHg
- Dichte
- 1.1248 · 1.1248 (rough estimate)
- Brechungsindex
- 1.571 · 1.5710 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 1.74 · 1.74±0.50(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- White to light beige
- Merck
- 14 · 14,7292
- InChI
- 1S/C10H13NO2/c1-2-13-10(12)8-11-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
- InChIKey
- MLSGRWDEDYJNER-UHFFFAOYSA-N
- SMILES
- CCOC(=O)CNc1ccccc1
- CAS Datenbank
- 2216 · 2216-92-4(CAS DataBase Reference)
- EPA chemische Informationen
- Glycine, N-phenyl-, ethyl ester (2216-92-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Sicherheitsdaten
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 29224985
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationGlycine, N-phenyl-, ethyl ester: INACTIVE
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