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

Name
2-(2-FURYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE
EINECS
CAS No. 394655-13-1
Density 1.109 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₄N₂O
Boiling Point 388 °C at 760 mmHg
Molecular Weight 214.26
Flash Point 188.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(Fur-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2-(2-Furyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2-(2-Furyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin;
PSA 37.20000
LogP 3.52440

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

The 1H-1,5-Benzodiazepine,2-(2-furanyl)-2,3,4,5-tetrahydro-, with the CAS registry number 394655-13-1, is also known as 2-(Fur-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine. This chemical's molecular formula is C₁₃H₁₄N₂O and molecular weight is 214.26 . What's more, its systematic name is 2-furan-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine.

Physical properties of 1H-1,5-Benzodiazepine,2-(2-furanyl)-2,3,4,5-tetrahydro- are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.38; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.49; (7)ACD/KOC (pH 5.5): 1.37; (8)ACD/KOC (pH 7.4): 39.42; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 19.62 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 61.86 cm³; (15)Molar Volume: 193 cm³; (16)Polarizability: 24.52×10^-24 cm³; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.109 g/cm³; (19)Flash Point: 188.5 °C; (20)Enthalpy of Vaporization: 63.72 kJ/mol; (21)Boiling Point: 388 °C at 760 mmHg; (22)Vapour Pressure: 3.15E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: o1c(ccc1)C3Nc2c(cccc2)NCC3
(2)InChI: InChI=1/C13H14N2O/c1-2-5-11-10(4-1)14-8-7-12(15-11)13-6-3-9-16-13/h1-6,9,12,14-15H,7-8H2
(3)InChIKey: GFIUPJNYBUXKTD-UHFFFAOYAL

Product Name

2-(2-FURYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE

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

Related Products

Hot Products