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146-36-1

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Basic Information
CAS No.: 146-36-1
Name: 6-allyl-6,7-dihydro-5H-dibenz[c,e]azepine
Molecular Structure:
Molecular Structure of 146-36-1 (6-allyl-6,7-dihydro-5H-dibenz[c,e]azepine)
Formula: C17H17 N
Molecular Weight: 235.329
Synonyms: 5H-Dibenz[c,e]azepine,6,7-dihydro-6-(2-propenyl)- (9CI); 5H-Dibenz[c,e]azepine, 6-allyl-6,7-dihydro-(7CI,8CI); Azapetine (6CI); Ilidar base
Density: 1.05g/cm3
Boiling Point: 364.5°Cat760mmHg
Flash Point: 157.1°C
Safety: Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion, subcutaneous, and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 3.24000
LogP: 3.79310
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Chemistry

Molecular Structure of Azapetine (CAS NO. 146-36-1):

IUPAC Name: 6-Prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine 
Molecular Formula: C17H17N
Molecular Weight: 235.323580 g/mol
XLogP3-AA: 3.6
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1
InChI: InChI=1S/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2
InChIKey: NYGHGTMKALXFIA-UHFFFAOYSA-N
Index of Refraction: 1.59
Molar Refractivity: 75.65 cm3
Molar Volume: 224 cm3
Surface Tension: 39 dyne/cm
Density: 1.05 g/cm3
Flash Point: 157.1 °C
Enthalpy of Vaporization: 61.07 kJ/mol
Boiling Point: 364.5 °C at 760 mmHg
Vapour Pressure: 1.67E-05 mmHg at 25 °C
BRN: 0194617
EINECS of Azapetine (CAS NO. 146-36-1): 205-667-3

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 50mg/kg (50mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LD50 intramuscular 600mg/kg (600mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LD50 intraperitoneal 210mg/kg (210mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LD50 intravenous 27mg/kg (27mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LD50 oral 460mg/kg (460mg/kg)   Bollettino Chimico Farmaceutico. Vol. 98, Pg. 702, 1959.
mouse LD50 subcutaneous 725mg/kg (725mg/kg)   Compilation of LD50 Values of New Drugs.
rabbit LD50 intravenous 26mg/kg (26mg/kg)   Compilation of LD50 Values of New Drugs

Safety Profile

Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion, subcutaneous, and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

  Azapetine with cas registry number of 146-36-1 is also known as 5-20-08-00106 (Beilstein Handbook Reference) ; 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-allyl- ; 6-Allil-6,7-diidro-5H-dibenzo(c,l)azepina ; 6-Allil-6,7-diidro-5H-dibenzo(c,l)azepina [Italian] ; 6-Allyl-6,7-dihydro-5H-dibenz(c,e)azepine ; Azapetina ; Azapetina [Italian] ; Ilidar Base ; UNII-9TTR0UA2KC ; 5H-Dibenz(c,e)azepine, 6-allyl-6,7-dihydro- ; 6-Allyl-6,7-dihydro-5H-dibenz(c,e)azepine .