4-Amino-1-indanone supplier | CasNO.51135-91-2

Name
4-AMINO-1-INDANONE
EINECS
CAS No. 51135-91-2
Article Data13
CAS DataBase
Density 1.255 g/cm³
Solubility
Melting Point 122-123 °C
Formula C₉H₉NO
Boiling Point 323.177 °C at 760 mmHg
Molecular Weight 147.177
Flash Point 149.252 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Indanone,4-amino- (6CI);4-Amino-1-indanone;4-Amino-2,3-dihydro-1H-inden-1-one;1H-inden-1-one, 4-amino-2,3-dihydro-;4-Aminoindan-1-on;4-aminoindan-1-one;4-amino-2,3-dihydroinden-1-one;
PSA 43.09000
LogP 1.97890

4-Amino-1-indanone Specification

The 1H-Inden-1-one,4-amino-2,3-dihydro-, with the CAS registry number 51135-91-2, has the systematic name of 4-amino-2,3-dihydro-1H-inden-1-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₉NO.

The characteristics of 1H-Inden-1-one,4-amino-2,3-dihydro- are as followings: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 66; (8)ACD/KOC (pH 7.4): 66; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.09 Å²; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 42.794 cm³; (15)Molar Volume: 117.302 cm³; (16)Polarizability: 16.965×10^-24cm³; (17)Surface Tension: 59.391 dyne/cm; (18)Density: 1.255 g/cm³; (19)Flash Point: 149.252 °C; (20)Enthalpy of Vaporization: 56.509 kJ/mol; (21)Boiling Point: 323.177 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Nc2cccc1c2CCC1=O
(2)InChI: InChI=1/C9H9NO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5,10H2
(3)InChIKey: HCPYYLKYVRPDKI-UHFFFAOYAK

Product Name

4-AMINO-1-INDANONE

4-Amino-1-indanone Specification

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