Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
cis-Octahydroisoindole |
EINECS | 604-559-7 |
CAS No. | 1470-99-1 | Density | 0.916 g/cm3 |
PSA | 12.03000 | LogP | 1.72480 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H15N | Boiling Point | 190.198 °C at 760 mmHg |
Molecular Weight | 125.214 | Flash Point | 62.087 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
cis-Octahydro-2H-isoindole;cis-Octahydro-1H-isoindole;Isoindoline, hexahydro-, cis- (8CI);cis-Hexahydroisoindoline;1H-Isoindole,octahydro-, cis-; |
Article Data | 13 |
This chemical is called cis-Octahydroisoindole, and its CAS registry number is 1470-99-1. With the molecular formula of C8H15N, its molecular weight is 125.21. Additionally, its product categories are Pharmaceutical Material and Intermeidates; API Intermediates.
Other characteristics of the cis-Octahydroisoindole can be summarised as followings: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (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): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 38.294 cm3; (15)Molar Volume: 136.722 cm3; (16)Polarizability: 15.181×10-24cm3; (17)Surface Tension: 30.716 dyne/cm; (18)Density: 0.916 g/cm3; (19)Flash Point: 62.087 °C; (20)Enthalpy of Vaporization: 42.64 kJ/mol; (21)Boiling Point: 190.198 °C at 760 mmHg; (22)Vapour Pressure: 0.548 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N2C[C@@H]1CCCC[C@@H]1C2
2.InChI: InChI=1/C8H15N/c1-2-4-8-6-9-5-7(8)3-1/h7-9H,1-6H2/t7-,8
3.InChIKey: ODSNARDHJFFSRH-OCAPTIKFBR