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IUPAC: 2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)ethanol
Molecular Formula: C16H17NO
Molecular Weight: 239.312280 g/mol
Canonical SMILES: c12c3c(CN(Cc1cccc2)CCO)cccc3
InChI: InChI=1/C16H17NO/c18-10-9-17-11-13-5-1-3-7-15(13)16-8-4-2-6-14(16)12-17/h1-8,18H,9-12H2
Mol File: 63918-74-1.mol
XLogP3-AA: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 239.131014
MonoIsotopic Mass: 239.131014
Topological Polar Surface Area: 23.5
Heavy Atom Count: 18
Complexity: 244
Index of Refraction: 1.61
Molar Refractivity: 72.83 cm3
Molar Volume: 209.9 cm3
Polarizability: 28.87×10-24cm3
Surface Tension: 46.4 dyne/cm
Density: 1.139 g/cm3
Flash Point: 224.5 °C
Enthalpy of Vaporization: 70.85 kJ/mol
Boiling Point: 418.5 °C at 760 mmHg
Vapour Pressure of 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(2-hydroxyethyl)- (CAS NO.63918-74-1): 9.45E-08 mmHg at 25 °C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 135mg/kg (135mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 10, 1951. | |
mouse | LD50 | intravenous | 32mg/kg (32mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 10, 1951. |
Poison by intravenous and intraperitoneal routes. When heated to decomposition 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(2-hydroxyethyl)- (CAS NO.63918-74-1) emits toxic fumes of NOx.
5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(2-hydroxyethyl)- (CAS NO.63918-74-1) can be called 4-20-00-03916 (Beilstein Handbook Reference) ; 6,7-Dihydro-6-(2-hydroxyethyl)-5H-dibenz(c,e)azepine ; BRN 0196492 ; Ro 2-3599 .