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Name
2-PIPERAZIN-1-YLNICOTINIC ACID
- EINECS
- CAS No. 374063-94-2
- Density 1.267 g/cm3
- Solubility
- Melting Point
- Formula C10H13N3O2
- Boiling Point 429.6 °C at 760 mmHg
- Molecular Weight 207.23
- Flash Point 213.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms RARECHEM AL BO 0818;2-PIPERAZIN-1-YLNICOTINIC ACID;Zinc03716148;2-Piperazin-1-ylnicotinic acid, 95+%
- PSA 65.46000
- LogP 0.58320
3-Pyridinecarboxylicacid, 2-(1-piperazinyl)- Specification
The 3-Pyridinecarboxylicacid, 2-(1-piperazinyl)- is an organic compound with the formula C10H13N3O2. The systematic name of this chemical is 2-piperazin-1-ylpyridine-3-carboxylic acid. With the CAS registry number 374063-94-2, it is also named as 2-(1-Piperazinyl)nicotinic acid.
Physical properties about 3-Pyridinecarboxylicacid, 2-(1-piperazinyl)- are: (1)ACD/LogP: -0.39; (2)ACD/LogD (pH 5.5): -3.65; (3)ACD/LogD (pH 7.4): -2.97; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 45.67 Å2; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 54.82 cm3; (14)Molar Volume: 163.4 cm3; (15)Polarizability: 21.73×10-24cm3; (16)Surface Tension: 54.8 dyne/cm; (17)Density: 1.267 g/cm3; (18)Flash Point: 213.6 °C; (19)Enthalpy of Vaporization: 72.19 kJ/mol; (20)Boiling Point: 429.6 °C at 760 mmHg; (21)Vapour Pressure: 3.83E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(nccc1)N2CCNCC2
(2)InChI: InChI=1/C10H13N3O2/c14-10(15)8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2,(H,14,15)
(3)InChIKey: BCDHEUBISMKPOQ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H13N3O2/c14-10(15)8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2,(H,14,15)
(5)Std. InChIKey: BCDHEUBISMKPOQ-UHFFFAOYSA-N
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