6-[(E)-3,7-Dimethyl-2,6-octadienyl]-5,6,7,12-tetrahydrodibenz[c,f]azocine

Modify Date: 2025-10-23 06:57:17

6-[(E)-3,7-Dimethyl-2,6-octadienyl]-5,6,7,12-tetrahydrodibenz[c,f]azocine structure	Common Name	6-[(E)-3,7-Dimethyl-2,6-octadienyl]-5,6,7,12-tetrahydrodibenz[c,f]azocine
	CAS Number	18198-06-6	Molecular Weight	345.52000
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₅H₃₁N	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	11-[(2E)-3,7-dimethylocta-2,6-dienyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
Synonym	More Synonyms

Molecular Formula	C₂₅H₃₁N
Molecular Weight	345.52000
Exact Mass	345.24600
PSA	3.24000
LogP	6.22360
Vapour Pressure	5.97E-09mmHg at 25°C
InChIKey	GWMLIYHWZMOEJW-RCCKNPSSSA-N
SMILES	CC(C)=CCCC(C)=CCN1Cc2ccccc2Cc2ccccc2C1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HO3156700

CHEMICAL NAME :: Dibenz(c,f)azocine, 6-(3,7-dimethyl-2,6-octadienyl)-5,6,7,12-tetrahydro-, (E)-

CAS REGISTRY NUMBER :: 18198-06-6

LAST UPDATED :: 198112

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C25-H31-N

MOLECULAR WEIGHT :: 345.57

WISWESSER LINE NOTATION :: T C686 JN&T&J J1Y1&U3Y1&U2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 270 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,97,1968

6-(3,7-Dimethyl-2,6-octadienyl)-5,6,7,12-tetrahydro-dibenz(c,f)azocine (E)

Dibenz(c,f)azocine,6-(3,7-dimethyl-2,6-octadienyl)-5,6,7,12-tetrahydro-,(E)

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