cis-Octahydroisoindole supplier

Name
cis-Octahydroisoindole
EINECS 604-559-7
CAS No. 1470-99-1
Article Data13
CAS DataBase
Density 0.916 g/cm³
Solubility
Melting Point
Formula C₈H₁₅N
Boiling Point 190.198 °C at 760 mmHg
Molecular Weight 125.214
Flash Point 62.087 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms cis-Octahydro-2H-isoindole;cis-Octahydro-1H-isoindole;Isoindoline, hexahydro-, cis- (8CI);cis-Hexahydroisoindoline;1H-Isoindole,octahydro-, cis-;
PSA 12.03000
LogP 1.72480

cis-Octahydroisoindole Specification

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

Product Name

cis-Octahydroisoindole

cis-Octahydroisoindole Specification

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