N-(4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene)methanamine

HCID 9796475CAS 261776-41-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CN=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIKey: MGBVAZJASCWJGJ-UHFFFAOYSA-N
Summenformel: C17H15Cl2N
Durchschnittliche Molmasse: 304,2 g/mol

Namen und Bezeichner

Bevorzugter Name: N-(4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene)methanamine
IUPAC: 4-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-naphthalen-1-imine
Englischer Name: 4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenimine
Summenformel: C17H15Cl2N
Molmasse: 304.21

Namen und Synonyme

N-[4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene]methanamineN-(4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene)methanamineRefChem:826905455-240-279560-20-64-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-naphthalen-1-imine4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenimineN-(4(3,4-dichlorophenyl)-3,4-dihydro-1(2H)naphthalidene) methanamine261776-41-4Sertraline Impurity 38Sertraline Impurity 54Sertraline Impurity 64

Weitere Namen anzeigen

SETRALINE HCL4-(3,4-Dichlorophenyl)-3,4-dihydro-N-methyl-1-(2H)-NapthaleneimineSERTRALINE HCL FORM ISERTRALINE HCL FORM IISertraline Impurity 13Sertraline STHRC-3 ImpuritySertraline Tetralone Methanamine Racemate4-(3,4-Dichlorophenyl)-3,4-dihydro-1-(2H)-methanamine4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthaleneimine4-(3,4-Dichlorophenyl)-1-tetrahydro-N-methyl-1-naphthylimine

M7E26V8V3GSCHEMBL2778648SCHEMBL2778650SCHEMBL2779598DTXSID90430872MGBVAZJASCWJGJ-UHFFFAOYSA-NEDA56020AKOS015965560

Datenbank-Bezeichner

CAS: 261776-41-4、79560-20-6
PubChem CID: 9796475
DTXSID: DTXSID90430872
UNII: M7E26V8V3G
EC Number: 455-240-2、616-704-1
Nikkaji: J1.274.613J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,9
Polarare Oberfläche (TPSA): 12,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 20
Formalladung: 0
Komplexität: 368

Physikochemische Eigenschaften

Schmelzpunkt: 243 · 243-247°C
Siedepunkt: 390.5 · 390.5±42.0 °C(Predicted)
Dichte: 1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
Löslichkeit: 26 mg/mL · DMSO: ~26 mg/mL
pka: 5.41 · 5.41±0.40(Predicted)
Aggregatzustand: solid
Farbe: white
CAS Datenbank: 79560 · 79560-20-6

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.