Ethyl 3-amino-3-phenylpropanoate

HCID 236379CAS 6335-76-8

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Grundinformationen

Standard-SMILES: CCOC(=O)CC(N)c1ccccc1
InChIKey: NUWRDXMXYDWUAN-UHFFFAOYSA-N
Summenformel: C11H15NO2
Durchschnittliche Molmasse: 193,24 g/mol
Monoisotopische Masse: 193,11027872

Namen und Bezeichner

Bevorzugter Name: Ethyl 3-amino-3-phenylpropanoate
IUPAC: ethyl 3-amino-3-phenylpropanoate
Englischer Name: ethyl 3-amino-3-phenylpropanoate
Summenformel: C11H15NO2
Molmasse: 193.24

Namen und Synonyme

ethyl 3-amino-3-phenylpropanoateNSC 38811DTXSID10284758EC 613-206-6RefChem:594829DTXCID30235909613-206-66335-76-83-Amino-3-phenyl-propionic acid ethyl esterMFCD00749016ethyl 3-amino-3-phenyl-propanoateethyl 3-amino-3-phenylpropionate

Weitere Namen anzeigen

-propionic acid ethyLEthyl 3-amino-3-phenylpropionate 95+%ETHYL-3-AMINO-3-PHENYLPROPANOATEhyHCLbeta-Aminobenzenepropanoic acid ethyl esterBenzenepropanoic acid, β-amino-, ethyl esterBenzenepropanoic acid, b-aMino-, ethyl ester

ethyl3-amino-3-phenylpropanoateethyl 3-amino-3-phenyl-propanoate hydrochloride3-amino-3-phenylpropanoic acid ethyl esterNSC38811Oprea1_019872Oprea1_452713SCHEMBL1138729DTXSID40902791

Datenbank-Bezeichner

CAS: 6335-76-8
PubChem CID: 236379
DTXSID: DTXSID10284758
EC Number: 613-206-6
Nikkaji: J1.252.657A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 14
Formalladung: 0
Komplexität: 176

Physikochemische Eigenschaften

Schmelzpunkt: 111 · 111-112℃ (water ethanol )
Siedepunkt: 155 °C · 155 °C(Press: 13 Torr)
Dichte: 1.075 · 1.075±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 7.75 · 7.75±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (97.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.