5H-Imidazo[1,2-a]azepine,6,7,8,9-tetrahydro- supplier

Name
6,7,8,9-TETRAHYDRO-5H-IMIDAZO[1,2-A]AZEPINE
EINECS
CAS No. 5768-55-8
Article Data5
CAS DataBase
Density 1.139 g/cm³
Solubility
Melting Point
Formula C₈H₁₂N₂
Boiling Point 297.222 °C at 760 mmHg
Molecular Weight 136.197
Flash Point 133.555 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pentamethyleneimidazole;6,7,8,9-Tetrahydro-5H-imidazo[1,2-a]azepine;
PSA 17.82000
LogP 1.60950

5H-Imidazo[1,2-a]azepine,6,7,8,9-tetrahydro- Specification

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

Product Name

6,7,8,9-TETRAHYDRO-5H-IMIDAZO[1,2-A]AZEPINE

5H-Imidazo[1,2-a]azepine,6,7,8,9-tetrahydro- Specification

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