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| CAS No.: | 51135-91-2 |
|---|---|
| Name: | 4-AMINO-1-INDANONE |
| Molecular Structure: | |
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| Formula: | C9H9NO |
| Molecular Weight: | 147.177 |
| 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; |
| Density: | 1.255 g/cm3 |
| Melting Point: | 122-123 °C |
| Boiling Point: | 323.177 °C at 760 mmHg |
| Flash Point: | 149.252 °C |
| PSA: | 43.09000 |
| LogP: | 1.97890 |
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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