4-(Dimethylamino)benzophenon

4-(Dimethylamino)benzophenone

HCID 10737CAS 530-44-9

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Grundinformationen

Standard-SMILES: CN(C)c1ccc(C(=O)c2ccccc2)cc1
InChIKey: BEUGBYXJXMVRFO-UHFFFAOYSA-N
Summenformel: C15H15NO
Durchschnittliche Molmasse: 225,28 g/mol
Monoisotopische Masse: 225,1153641

Namen und Bezeichner

Bevorzugter Name: 4-(Dimethylamino)benzophenone
IUPAC: [4-(dimethylamino)phenyl]-phenylmethanone
Lokaler Name: 4-(Dimethylamino)benzophenon
Englischer Name: 4-(Dimethylamino)benzophenone
Summenformel: C15H15NO
Molmasse: 225.29

Namen und Synonyme

4-(DIMETHYLAMINO)BENZOPHENONEp-Dimethylaminobenzophenone4-Dimethylaminobenzophenone4-benzoyl-N,N-dimethylanilineMethanone, [4-(dimethylamino)phenyl]phenyl-UNII-G8988HD9YEEINECS 208-478-4NSC 15962NSC-15962G8988HD9YEDTXSID1060188Methanone, (4-(dimethylamino)phenyl)phenyl-

Weitere Namen anzeigen

4-Dimethylaminobenzophenonp-Benzoyl-N,N-dimethylanilineP-(DIMETHYLAMINO)BENZOPHENONEN,N-DIMETHYL AMINO BENZOPHENONEBenzophenone, 4-(dimethylamino)-4-(Dimethylamino)benzophenone>4-(N,N-DIMETHYLAMINO)BENZOPHENONE4-(Dimethylamino)benzophenone,98%

NSC-28935Benzenamine,N,N-dimethyl-4-(phenylmethanone)-N,N-DIMETHYL-P-AMINOBENZOPHENONEP-DIMETHYLAMINOBENZOPHENONE [MI](4-(DIMETHYLAMINO)PHENYL)PHENYLMETHANONERefChem:97439DTXCID7041334BEUGBYXJXMVRFO-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 530-44-9
PubChem CID: 10737
DTXSID: DTXSID1060188
ChEMBL: CHEMBL1502306
UNII: G8988HD9YE
EC Number: 208-478-4
Nikkaji: J79.645J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 248

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 88 · 88-90 °C(lit.)
Siedepunkt: 250 °C · 250 °C / 15mmHg
Dichte: 1.0463 · 1.0463 (rough estimate)
Brechungsindex: 1.52 · 1.5200 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: powder to crystal
pka: 2.12 · 2.12±0.12(Predicted)
Farbe: White to Light yellow to Green
Wasserlöslichkeit: insoluble
Merck: 14 · 14,3233
InChI: 1S/C15H15NO/c1-16(2)14-10-8-13(9-11-14)15(17)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey: BEUGBYXJXMVRFO-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)C(=O)c2ccccc2
CAS Datenbank: 530 · 530-44-9(CAS DataBase Reference)
NIST chemische Informationen: 4 · Methanone, [4-(dimethylamino)phenyl]phenyl-(530-44-9)
EPA chemische Informationen: 4 · Methanone, [4-(dimethylamino)phenyl]phenyl- (530-44-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.