Products Categories
CAS No.: | 132521-70-1 |
---|---|
Name: | 6-(4-Methylpiperazin-1-yl)nicotinic acid |
Molecular Structure: | |
Formula: | C11H15N3O2 |
Molecular Weight: | 221.258 |
Synonyms: | 6-(4-Methylpiperazin-1-yl)nicotinic acid; |
Density: | 1.239 g/cm3 |
Boiling Point: | 420.197 °C at 760 mmHg |
Flash Point: | 207.928 °C |
PSA: | 56.67000 |
LogP: | 0.53450 |
What can I do for you?
Get Best Price
The 3-Pyridinecarboxylicacid, 6-(4-methyl-1-piperazinyl)-, with the CAS registry number of 132521-70-1, is also known as 6-(4-Methylpiperazin-1-yl)nicotinic acid. Its molecular formula is C11H15N3O2 and molecular weight is 221.258. What's more, its systematic name is 6-(4-Methylpiperazin-1-yl)pyridine-3-carboxylic acid.
Physical properties about the 3-Pyridinecarboxylicacid, 6-(4-methyl-1-piperazinyl)- are: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 56.67 Å2; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 59.753 cm3; (13)Molar Volume: 178.509 cm3; (14)Surface Tension: 53.654 dyne/cm; (15)Density: 1.239 g/cm3; (16)Flash Point: 207.928 °C; (17)Enthalpy of Vaporization: 71.059 kJ/mol; (18)Boiling Point: 420.197 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CN1CCN(CC1)c2ncc(cc2)C(O)=O
(2) InChI: InChI=1/C11H15N3O2/c1-13-4-6-14(7-5-13)10-3-2-9(8-12-10)11(15)16/h2-3,8H,4-7H2,1H3,(H,15,16)
(3) InChIKey: QHMVJHRGUIQPPU-UHFFFAOYAI