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5-Aminoisoindoline

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Name

5-Aminoisoindoline

EINECS N/A
CAS No. 45766-35-6 Density 1.148 g/cm3
PSA 38.05000 LogP 1.78200
Solubility N/A Melting Point N/A
Formula C8H10N2 Boiling Point 288.966 °C at 760 mmHg
Molecular Weight 134.181 Flash Point 149.357 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 45766-35-6 (2,3-DIHYDRO-1H-ISOINDOL-5-AMINE) Hazard Symbols N/A
Synonyms

5-Aminoisoindoline;1H-isoindol-5-amine, 2,3-dihydro-;

Article Data 4

5-Aminoisoindoline Specification

The 5-Aminoisoindoline with the CAS number 45766-35-6 is also called isoindolin-5-amine. The systematic name is 2,3-dihydro-1H-isoindol-5-amine. Its molecular formula is C8H10N2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 38.05 Å2; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 41.4 cm3; (13)Molar Volume: 116.838 cm3; (14)Polarizability: 16.412×10-24cm3; (15)Surface Tension: 50.917 dyne/cm; (16)Enthalpy of Vaporization: 52.824 kJ/mol; (17)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc2CNCc2c1
(2)InChI: InChI=1/C8H10N2/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5,9H2
(3)InChIKey: YTIFSHPDDSIFRO-UHFFFAOYAH

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