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1H-1,5-Benzodiazepine,4-(2-furanyl)-2,3-dihydro-

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Name

1H-1,5-Benzodiazepine,4-(2-furanyl)-2,3-dihydro-

EINECS N/A
CAS No. 394655-12-0 Density 1.23g/cm3
PSA 37.53000 LogP 2.78960
Solubility N/A Melting Point N/A
Formula C13H12N2O Boiling Point 351.3 °C at 760 mmHg
Molecular Weight 212.25 Flash Point 166.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 394655-12-0 (4-(2-FURYL)-2,3-DIHYDRO-1H-1,5-BENZODIAZEPINE) Hazard Symbols IrritantXi
Synonyms

4-(2-FURYL)-2,3-DIHYDRO-1H-1,5-BENZODIAZEPINE;2,3-Dihydro-4-(fur-2-yl)-1H-1,5-benzodiazepine

 

1H-1,5-Benzodiazepine,4-(2-furanyl)-2,3-dihydro- Specification

The 1H-1,5-Benzodiazepine,4-(2-furanyl)-2,3-dihydro-, with CAS registry number 394655-12-0, has the systematic name of 4-furan-2-yl-2,3-dihydro-1H-1,5-benzodiazepine. Beside this, it is also called 4-(2-Furyl)-2,3-dihydro-1h-1,5-benzodiazepine. And the chemical formula of this chemical is C13H12N2O.

Physical properties of 1H-1,5-Benzodiazepine,4-(2-furanyl)-2,3-dihydro-: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.6; (7)ACD/KOC (pH 5.5): 15.06; (8)ACD/KOC (pH 7.4): 101.4; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.74 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 62.3 cm3; (15)Molar Volume: 172.2 cm3; (16)Polarizability: 24.69×10-24cm3; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 166.3 °C; (20)Enthalpy of Vaporization: 59.6 kJ/mol; (21)Boiling Point: 351.3 °C at 760 mmHg; (22)Vapour Pressure: 4.14E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N=2c1c(cccc1)NCCC=2c3occc3
(2)InChI: InChI=1/C13H12N2O/c1-2-5-11-10(4-1)14-8-7-12(15-11)13-6-3-9-16-13/h1-6,9,14H,7-8H2
(3)InChIKey: VGNRCODKFDNTOE-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H12N2O/c1-2-5-11-10(4-1)14-8-7-12(15-11)13-6-3-9-16-13/h1-6,9,14H,7-8H2
(5)Std. InChIKey: VGNRCODKFDNTOE-UHFFFAOYSA-N

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