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CAS No.: | 916979-09-4 |
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Name: | 2-Amino-4-methylpyridine-d6 |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H2D6N2 |
Molecular Weight: | 116.079 |
Synonyms: | 3,5,6-Trideuterio-4-(trideuteriomethyl)pyridin-2-amine; |
Density: | 1.128 g/cm3 |
Melting Point: | 86-87°C |
Boiling Point: | 227.375 °C at 760 mmHg |
Flash Point: | 114.023 °C |
PSA: | 38.91000 |
LogP: | 1.55340 |
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The CAS registry number of 2-Amino-4-methylpyridine-d6 is 916979-09-4. The systematic name is 3,5,6-trideuterio-4-(trideuteriomethyl)pyridin-2-amine. In addition, the molecular formula is C6H2D6N2 and the molecular weight is 114.18. What's more, it should be stored in a cool and dry place.
Physical properties about 2-Amino-4-methylpyridine-d6 are: (1)ACD/LogP: 0.89; (2)ACD/LogD (pH 7.4): 0.606; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1.449; (5)ACD/KOC (pH 5.5): 1.184; (6)ACD/KOC (pH 7.4): 37.58; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)Polar Surface Area: 38.91 Å2; (10)Index of Refraction: 1.574; (11)Molar Refractivity: 33.405 cm3; (12)Molar Volume: 101.213 cm3; (13)Polarizability: 13.243 ×10-24cm3; (14)Surface Tension: 46.924 dyne/cm; (15)Density: 1.128 g/cm3; (16)Flash Point: 114.023 °C; (17)Enthalpy of Vaporization: 46.394 kJ/mol; (18)Boiling Point: 227.375 °C at 760 mmHg; (19)Vapour Pressure: 0.078 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1c(nc(c(c1C([2H])([2H])[2H])[2H])N)[2H]
(2)InChI: InChI=1/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)/i1D3,2D,3D,4D
(3)InChIKey: ORLGLBZRQYOWNA-RLTMCGQMEN