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5-Aminoindan-1-one

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Name

5-Aminoindan-1-one

EINECS N/A
CAS No. 3470-54-0 Density 1.254 g/cm3
PSA 43.09000 LogP 1.97890
Solubility N/A Melting Point 184-186 ºC
Formula C9H9NO Boiling Point 344.5 °C at 760 mmHg
Molecular Weight 147.177 Flash Point 162.1 °C
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 3470-54-0 (5-Aminoindan-1-one) Hazard Symbols IrritantXi
Synonyms

1-Indanone,5-amino- (7CI,8CI);5-Amino-1-oxoindan;5-Amino-1-oxoindane;5-Amino-2,3-dihydro-1H-inden-1-one;5-Amino-2,3-dihydroinden-1-one;5-Aminoindan-1-one;NSC 225093;

Article Data 5

5-Aminoindan-1-one Specification

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 

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