6-Aminoisoindolin-1-one supplier

Name
1H-Isoindol-1-one, 6-amino-2,3-dihydro- (9CI)
EINECS
CAS No. 675109-45-2
Article Data5
CAS DataBase
Density 1.42 g/cm³
Solubility
Melting Point 247 °C
Formula C₈H₈N₂O
Boiling Point 402.531 °C at 760 mmHg
Molecular Weight 148.164
Flash Point 197.244 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Amino-2,3-dihydro-1H-Isoindol-1-one;
PSA 55.12000
LogP 1.42220

6-Aminoisoindolin-1-one Specification

The 1H-Isoindol-1-one, 6-amino-2,3-dihydro- (9CI), with the CAS registry number 675109-45-2, is also known as 6-Amino-2,3-dihydro-1H-Isoindol-1-one. It belongs to the product categories of Alcohol; Amineprimary. This chemical's molecular formula is C₈H₈N₂O and molecular weight is 148.16. Its systematic name is called 6-aminoisoindol-1-one.

Physical properties of 1H-Isoindol-1-one, 6-amino-2,3-dihydro- (9CI): (1)ACD/LogP: 0.20; (2)ACD/LogD (pH 5.5): 0.198; (3)ACD/LogD (pH 7.4): 0.198; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.53; (7)ACD/KOC (pH 7.4): 30.534; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.708; (12)Molar Refractivity: 40.132 cm³; (13)Molar Volume: 102.948 cm³; (14)Surface Tension: 59.747 dyne/cm; (15)Density: 1.42 g/cm³; (16)Flash Point: 197.244 °C; (17)Enthalpy of Vaporization: 65.37 kJ/mol; (18)Boiling Point: 402.531 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1N)C(=O)N=C2
(2)InChI: InChI=1/C8H6N2O/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-4H,9H2
(3)InChIKey: DGANVSQKFBYARL-UHFFFAOYAE

Product Name

1H-Isoindol-1-one, 6-amino-2,3-dihydro- (9CI)

6-Aminoisoindolin-1-one Specification

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