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CAS No.: | 140632-19-5 |
---|---|
Name: | Trans-1-amino-2-indanol |
Article Data: | 68 |
Molecular Structure: | |
Formula: | C9H11NO |
Molecular Weight: | 149.192 |
Synonyms: | TRANS-1-AMINO-2-INDANOL |
Density: | 1.212 g/cm3 |
Boiling Point: | 290 °C at 760 mmHg |
Flash Point: | 129.2 °C |
PSA: | 46.25000 |
LogP: | 1.30370 |
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This chemical is called Trans-1-amino-2-indanol, and its CAS registry number is 140632-19-5. With the molecular formula of C9H11NO, its molecular weight is 149.19.
Other characteristics of the Trans-1-amino-2-indanol can be summarised as followings: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.49; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.29; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 43.57 cm3; (15)Molar Volume: 123 cm3; (16)Polarizability: 17.27×10-24cm3; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.212 g/cm3; (19)Flash Point: 129.2 °C; (20)Enthalpy of Vaporization: 55.91 kJ/mol; (21)Boiling Point: 290 °C at 760 mmHg; (22)Vapour Pressure: 0.000978 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC2Cc1ccccc1C2N
2.InChI: InChI=1/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2
3.InChIKey: LOPKSXMQWBYUOI-UHFFFAOYAJ