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1020718-95-9

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Basic Information
CAS No.: 1020718-95-9
Name: 5-Amino-6-methylamino-d3-quinoline
Molecular Structure:
Molecular Structure of 1020718-95-9 (5-Amino-6-methylamino-d3-quinoline)
Formula: C10H8D3N3
Molecular Weight: 176.23
Synonyms: N6-(trideuteriomethyl)quinoline-5,6-diamine;
Density: 1.272 g/cm3
Boiling Point: 372.15 °C at 760 mmHg
Flash Point: 178.87 °C
PSA: 50.94000
LogP: 2.51290
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Specification

The 5-Amino-6-methylamino-d3-quinoline, with its CAS registry number 1020718-95-9, has its systematic name of N6-(trideuteriomethyl)quinoline-5,6-diamine. With its molecular formula of C10H8D3N3 and molecular weight of 176.23, it is a kind of dark red solid and it belongs to the product categories of Aromatics Compounds; Aromatics; Mutagenesis Research Chemicals.

Physical properties of 5-Amino-6-methylamino-d3-quinoline: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.478; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.324; (6)ACD/KOC (pH 5.5): 4.588; (7)ACD/KOC (pH 7.4): 41.241; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 50.94 Å2; (12)Index of Refraction: 1.743; (13)Molar Refractivity: 56.032 cm3; (14)Molar Volume: 138.509 cm3; (15)Polarizability: 22.213×10-24cm3; (16)Surface Tension: 62.841 dyne/cm; (17)Density: 1.272 g/cm3; (18)Flash Point: 178.87 °C; (19)Enthalpy of Vaporization: 61.926 kJ/mol; (20)Boiling Point: 372.15 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:[2H]C([2H])([2H])Nc1ccc2c(c1N)cccn2
(2)InChI:InChI=1/C10H11N3/c1-12-9-5-4-8-7(10(9)11)3-2-6-13-8/h2-6,12H,11H2,1H3/i1D3
(3)InChIKey:VKTBLHRTAVWXIJ-FIBGUPNXEG