The 1-Acetyl-7-amino-2,3-dihydro-1H-indole with the CAS number 51501-31-6 is also called Ethanone,1-(7-amino-2,3-dihydro-1H-indol-1-yl)-. The systematic name is 1-acetyl-2,3-dihydro-1H-indol-7-amine. Its molecular formula is C10H12N2O. This chemical is irritant. While using this chemical, you should be very cautious.
The properties of the 1-Acetyl-7-amino-2,3-dihydro-1H-indole are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 1.35; (6)ACD/BCF (pH 7.4): 1.37; (7)ACD/KOC (pH 5.5): 42.81; (8)ACD/KOC (pH 7.4): 43.63; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 50.82 cm3; (15)Molar Volume: 143.1 cm3; (16)Polarizability: 20.14×10-24cm3; (17)Surface Tension: 56.3 dyne/cm; (18)Enthalpy of Vaporization: 68.02 kJ/mol; (19)Vapour Pressure: 1.89×10-7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N2c1c(cccc1CC2)N)C
(2)InChI: InChI=1/C10H12N2O/c1-7(13)12-6-5-8-3-2-4-9(11)10(8)12/h2-4H,5-6,11H2,1H3
(3)InChIKey: ZFSYJCQFOKJSFE-UHFFFAOYAT
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