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Name |
4-Piperidinecarboxylic acid, 1-(6-chloro-3-pyridazinyl)-, methyl ester |
EINECS | 200-001-2 |
CAS No. | 339276-34-5 | Density | 1.293 g/cm3 |
PSA | 55.32000 | LogP | 1.58440 |
Solubility | N/A | Melting Point |
98-100°C |
Formula | C11H14ClN3O2 | Boiling Point | 436.2 °C at 760 mmHg |
Molecular Weight | 255.70 | Flash Point | 217.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
METHYL 1-(6-CHLORO-3-PYRIDAZINYL)-4-PIPERIDINECARBOXYLATE;METHYL 1-(6-CHLOROPYRIDAZIN-3-YL)PIPERIDINE-4-CARBOXYLATE;1-(6-CHLORO-PYRIDAZIN-3-YL)-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER;AKOS BBS-00002770;Methyl 1-(6-chloro-3-pyridazinyl)piperidine-4-carboxylate |
This chemical is called 4-Piperidinecarboxylic acid, 1-(6-chloro-3-pyridazinyl)-, methyl ester, and its CAS registry number is 339276-34-5. With the molecular formula of C11H14ClN3O2, its molecular weight is 255.70.
Other characteristics of the 4-Piperidinecarboxylic acid, 1-(6-chloro-3-pyridazinyl)-, methyl ester can be summarised as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 3.73; (6)ACD/BCF (pH 7.4): 4.62; (7)ACD/KOC (pH 5.5): 84.04; (8)ACD/KOC (pH 7.4): 103.99; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.32 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 63.09 cm3; (15)Molar Volume: 197.7 cm3; (16)Polarizability: 25.01×10-24cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 217.6 °C; (20)Enthalpy of Vaporization: 69.26 kJ/mol; (21)Boiling Point: 436.2 °C at 760 mmHg; (22)Vapour Pressure: 8.25E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1nnc(cc1)N2CCC(C(=O)OC)CC2
2.InChI: InChI=1/C11H14ClN3O2/c1-17-11(16)8-4-6-15(7-5-8)10-3-2-9(12)13-14-10/h2-3,8H,4-7H2,1H3
3.InChIKey: HPDABTZAYLFFDV-UHFFFAOYAE