1H-Inden-1-one,5-amino-2,3-dihydro- (3470-54-0)

The 5-Aminoindan-1-one, with its CAS registry number 3470-54-0, has the IUPAC name of 5-amino-2,3-dihydroinden-1-one. And its product categories are including Amines; Fused Ring Systems.

The physical properties of this chemical are as below: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0  ; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 20.31; (7)Index of Refraction: 1.65; (8)Molar Refractivity: 42.79 cm³; (9)Molar Volume: 117.3 cm³; (10)Polarizability: 16.96×10^-24 cm³; (11)Surface Tension: 59.3 dyne/cm; (12)Density: 1.254 g/cm³; (13)Flash Point: 162.1 °C; (14)Enthalpy of Vaporization: 58.84 kJ/mol; (15)Boiling Point: 344.5 °C at 760 mmHg; (16)Vapour Pressure: 6.57E-05 mmHg at 25°C; (17)Exact Mass: 147.068414; (18)MonoIsotopic Mass: 147.068414; (19)Topological Polar Surface Area: 43.1; (20)Heavy Atom Count: 11; (21)Complexity: 178.

When you are dealing with this chemical, you should be careful. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health. It will be very dangerous if by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing and gloves.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1CC(=O)C2=C1C=C(C=C2)N
(2)InChI: InChI=1S/C9H9NO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4,10H2
(3)InChIKey: HODOSJNSRPXYBH-UHFFFAOYSA-N