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| CAS No.: | 55403-35-5 |
|---|---|
| Name: | 3-Amino-6-(4-methylpiperazin-1-yl)pyridine |
| Molecular Structure: | |
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| Formula: | C10H16N4 |
| Molecular Weight: | 192.264 |
| Synonyms: | 3-Amino-6-(4-methylpiperazin-1-yl)pyridine; |
| EINECS: | 200-258-5 |
| Density: | 1.142 g/cm3 |
| Melting Point: | 106-108 °C |
| Boiling Point: | 388.7 °C at 760 mmHg |
| Flash Point: | 188.9 °C |
| PSA: | 45.39000 |
| LogP: | 0.99970 |
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Specification
The 3-Pyridinamine,6-(4-methyl-1-piperazinyl)-, with the CAS registry number 55403-35-5, is also known as 3-Amino-6-(4-methylpiperazin-1-yl)pyridine. It belongs to the product categories of Amines and Anilines; Heterocycles; Pharmacetical. This chemical's molecular formula is C10H16N4 and molecular weight is 192.2608. What's more, its systematic name is called 6-(4-Methylpiperazin-1-yl)pyridin-3-amine.
Physical properties about 3-Pyridinamine,6-(4-methyl-1-piperazinyl)- are: (1)ACD/LogP: 0.14; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.76; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 4.65; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.61 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 57.05 cm3; (15)Molar Volume: 168.2 cm3; (16)Polarizability: 22.62×10-24 cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.142 g/cm3; (19)Flash Point: 188.9 °C; (20)Enthalpy of Vaporization: 63.8 kJ/mol; (21)Boiling Point: 388.7 °C at 760 mmHg; (22)Vapour Pressure: 3E-06 mmHg at 25 °C; (23)Melting Point: 106-108 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n2c(N1CCN(C)CC1)ccc(N)c2
(2) InChI: InChI=1/C10H16N4/c1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10/h2-3,8H,4-7,11H2,1H3
(3) InChIKey: NZTCEWZBMOTKCJ-UHFFFAOYAO