Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | Xi | |
Synonyms |
4-(2-FURYL)-2,3-DIHYDRO-1H-1,5-BENZODIAZEPINE;2,3-Dihydro-4-(fur-2-yl)-1H-1,5-benzodiazepine |
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