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CAS No.: | 398487-76-8 |
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Name: | 1H-Indol-5-amine,4-fluoro-2-methyl-(9CI) |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H9FN2 |
Molecular Weight: | 164.182 |
Synonyms: | 5-Amino-4-fluoro-2-methylindole; |
Density: | 1.317 g/cm3 |
Boiling Point: | 343.671 °C at 760 mmHg |
Flash Point: | 161.647 °C |
PSA: | 41.81000 |
LogP: | 2.77880 |
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The 1H-Indol-5-amine,4-fluoro-2-methyl- is an organic compound with the formula C9H9FN2. The IUPAC name of this chemical is 4-fluoro-2-methyl-1H-indol-5-amine. With the CAS registry number 398487-76-8, it is also named as 5-amino-4-fluoro-2-methylindole. The product's category is Halide.
Physical properties about 1H-Indol-5-amine,4-fluoro-2-methyl- are: (1)/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.235; (3)ACD/LogD (pH 7.4): 1.235; (4)ACD/BCF (pH 5.5): 5.111; (5)ACD/BCF (pH 7.4): 5.115; (6)ACD/KOC (pH 5.5): 111.857; (7)ACD/KOC (pH 7.4): 111.955; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 41.81 Å2; (12)Index of Refraction: 1.689; (13)Molar Refractivity: 47.583 cm3; (14)Molar Volume: 124.637 cm3; (15)Polarizability: 18.864×10-24cm3; (16)Surface Tension: 56.238 dyne/cm; (17)Density: 1.317 g/cm3; (18)Flash Point: 161.647 °C; (19)Enthalpy of Vaporization: 58.755 kJ/mol; (20)Boiling Point: 343.671 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc2c([nH]1)ccc(c2F)N
(2)InChI: InChI=1/C9H9FN2/c1-5-4-6-8(12-5)3-2-7(11)9(6)10/h2-4,12H,11H2,1H3
(3)InChIKey: OLSQELJCNPMVRU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H9FN2/c1-5-4-6-8(12-5)3-2-7(11)9(6)10/h2-4,12H,11H2,1H3
(5)Std. InChIKey: OLSQELJCNPMVRU-UHFFFAOYSA-N