(2E)-3-(dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one

HCID 12233520
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Grundinformationen

CAS
62041-46-7
Standard-SMILES
COc1cccc(C(=O)/C=C/N(C)C)c1
InChIKey
QBMMITATXZJWDG-BQYQJAHWSA-N
Summenformel
C12H15NO2
Durchschnittliche Molmasse
205,25 g/mol
Monoisotopische Masse
205,11027872

Namen und Bezeichner

Bevorzugter Name
(2E)-3-(dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one
IUPAC
(E)-3-(dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one

Namen und Synonyme

(2E)-3-(dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one58316-11-362041-46-7(E)-3-(Dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one3-(DIMETHYLAMINO)-1-(3-METHOXYPHENYL)PROP-2-EN-1-ONEMFCD11501639(2E)-3-(Dimethylamino)-1-(3-methoxyphenyl)-prop-2-en-1-one2-Propen-1-one, 3-(dimethylamino)-1-(3-methoxyphenyl)-, (2E)-V6762SCHEMBL2162778SCHEMBL31276346QBMMITATXZJWDG-BQYQJAHWSA-N
Weitere Namen anzeigen
ALBB-017415AKOS002682438AS-70038CS-0289904EN300-140069H32164EN300-10826983-dimethylamino-1-(3-methoxyphenyl)-2-propen-1-one

Datenbank-Bezeichner

CAS
62041-46-7
PubChem CID
12233520
EC Number
690-419-0
Nikkaji
J1.784.501B、J2.179.040K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
29,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
4
Schwere Atome
15

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 4 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.

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