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| CAS No.: | 222036-66-0 |
|---|---|
| Name: | 1H-Isoindol-1-one,5-amino-2,3-dihydro-(9CI) |
| Molecular Structure: | |
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| Formula: | C8H8N2O |
| Molecular Weight: | 148.164 |
| Synonyms: | 5-Amino-2,3-dihydro-1H-isoindol-1-one;5-Amino-2,3-dihydroisoindol-1-one;1H-isoindol-1-one, 5-amino-2,3-dihydro; |
| EINECS: | 1592732-453-0 |
| Density: | 1.307g/cm3 |
| Melting Point: | 197-199 °C(Solv: ethyl acetate (141-78-6)) |
| Boiling Point: | 520.034 °C at 760 mmHg |
| Flash Point: | 268.307 °C |
| PSA: | 55.12000 |
| LogP: | 1.42220 |
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Specification
The 5-aminoisoindoline-1-one, with CAS registry number 222036-66-0, belongs to the following product categories: (1)Amineprimary; (2)Quinolines. It has the systematic name of 5-amino-2,3-dihydro-1H-isoindol-1-one. And the chemical formula of this chemical is C8H8N2O.
Physical properties of 5-aminoisoindoline-1-one: (1)ACD/LogP: -0.58; (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): 11; (6)ACD/KOC (pH 7.4): 11; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 55.12 Å2; (11)Index of Refraction: 1.654; (12)Molar Refractivity: 41.53 cm3; (13)Molar Volume: 113.335 cm3; (14)Polarizability: 16.464×10-24cm3; (15)Surface Tension: 58.788 dyne/cm; (16)Density: 1.307 g/cm3; (17)Flash Point: 268.307 °C; (18)Enthalpy of Vaporization: 79.293 kJ/mol; (19)Boiling Point: 520.034 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc2C(=O)NCc2c1
(2)InChI: InChI=1/C8H8N2O/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4,9H2,(H,10,11)
(3)InChIKey: RGJCJWXNNDARPQ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H8N2O/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4,9H2,(H,10,11)
(5)Std. InChIKey: RGJCJWXNNDARPQ-UHFFFAOYSA-N