1-Ethyl-3-phenylurea

HCID 12115CAS 621-04-5

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Grundinformationen

Standard-SMILES: CCNC(=O)Nc1ccccc1
InChIKey: XUFXDODGXLVPNJ-UHFFFAOYSA-N
Summenformel: C9H12N2O
Durchschnittliche Molmasse: 164,2 g/mol
Monoisotopische Masse: 164,09496301

Namen und Bezeichner

Bevorzugter Name: 1-Ethyl-3-phenylurea
IUPAC: 1-ethyl-3-phenylurea
Englischer Name: 1-Ethyl-3-phenylurea
Summenformel: C9H12N2O
Molmasse: 164.2

Namen und Synonyme

1-Ethyl-3-phenylureaUrea, N-ethyl-N'-phenyl-N-Phenyl-N'-ethylureaUREA, 1-ETHYL-3-PHENYL-N-Ethyl-N'-phenylureaNSC 46782BRN 208753490O3F38DTWNSC-46782UNII-90O3F38DTWDTXSID902111434-12-00-00735 (Beilstein Handbook Reference)

Weitere Namen anzeigen

ethylphenylureasym-EthylphenylureaTIMTEC-BB SBB0083901-ethyl-3-phenyl-ure

RefChem:75748DTXCID90133634Urea, N-ethyl-N'-phenyl-(9CI)623-064-7XUFXDODGXLVPNJ-UHFFFAOYSA-N621-04-51-phenyl-3-ethylurea3-ethyl-1-phenylurea

Datenbank-Bezeichner

CAS: 621-04-5
PubChem CID: 12115
DTXSID: DTXSID90211143
ChEMBL: CHEMBL3235061
UNII: 90O3F38DTW
EC Number: 623-064-7
Nikkaji: J9.445E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 41,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 141

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.