Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5H-Imidazo[1,2-a]azepine,6,7,8,9-tetrahydro- |
EINECS | N/A |
CAS No. | 5768-55-8 | Density | 1.139 g/cm3 |
PSA | 17.82000 | LogP | 1.60950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H12N2 | Boiling Point | 297.222 °C at 760 mmHg |
Molecular Weight | 136.197 | Flash Point | 133.555 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2-Pentamethyleneimidazole;6,7,8,9-Tetrahydro-5H-imidazo[1,2-a]azepine; |
Article Data | 5 |
The 5H-Imidazo[1,2-a]azepine,6,7,8,9-tetrahydro-, with CAS registry number 5768-55-8, has the systematic name of 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine. Besides this, it is also called 1,2-Pentamethyleneimidazole. And the chemical formula of this chemical is C8H12N2.
Physical properties of 5H-Imidazo[1,2-a]azepine,6,7,8,9-tetrahydro-: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 41.323 cm3; (15)Molar Volume: 119.603 cm3; (16)Polarizability: 16.382×10-24cm3; (17)Surface Tension: 43.698 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 133.555 °C; (20)Enthalpy of Vaporization: 51.557 kJ/mol; (21)Boiling Point: 297.222 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1ccn2c1CCCCC2
(2)InChI: InChI=1/C8H12N2/c1-2-4-8-9-5-7-10(8)6-3-1/h5,7H,1-4,6H2
(3)InChIKey: MBVCARRYXQUTLF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H12N2/c1-2-4-8-9-5-7-10(8)6-3-1/h5,7H,1-4,6H2
(5)Std. InChIKey: MBVCARRYXQUTLF-UHFFFAOYSA-N