1H-Indol-4-amine,1-methyl- (85696-95-3)

The 4-Amino-N-methylindole with cas registry number of 85696-95-3, belongs to the following product categorie: Indole. Its systematic name is 1-methyl-1H-indol-4-aminato. And it is also named 1H-Indol-4-amine, 1-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 1.44; (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): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 115; (8)ACD/KOC (pH 7.4): 130; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.95 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 44.606 cm³; (15)Molar Volume: 126.97 cm³; (16)Polarizability: 17.683×10^-24cm³; (17)Surface Tension: 43.46 dyne/cm; (18)Enthalpy of Vaporization: 57.039 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES:Nc2cccc1c2ccn1C;
(2)InChI:InChI=1/C9H10N2/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,10H2,1H3;
(3)InChIKey:ODOJPFQQFJVNMD-UHFFFAOYAK;
(4)Std. InChI:InChI=1S/C9H10N2/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,10H2,1H3;
(5)Std. InChIKey:ODOJPFQQFJVNMD-UHFFFAOYSA-N.