| Identification | |
| Name: | 4-Piperidinecarboxylicacid, 4-methyl-, ethyl ester |
| Synonyms: | Isonipecoticacid, 4-methyl-, ethyl ester (6CI);4-Methylpiperidin-4-carboxylic acid ethylester;Ethyl 4-methylpiperidine-4-carboxylate; |
| CAS: | 103039-88-9 |
| Molecular Formula: | C9H17 N O2 |
| Molecular Weight: | 171.24 |
| InChI: | InChI=1/C9H17NO2/c1-3-12-8(11)9(2)4-6-10-7-5-9/h10H,3-7H2,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 87 ºC |
| Boiling Point: | 221 ºC |
| Density: | 0.978 |
| Refractive index: | 1.445 |
| Specification: |
The Ethyl 4-methylpiperidine-4-carboxylate with cas registry number of 103039-88-9, is also called Isonipecoticacid, 4-methyl-, ethyl ester (6CI) ; 4-Methylpiperidin-4-carboxylic acid ethylester . Physical properties of Ethyl 4-methylpiperidine-4-carboxylate :(1)ACD/LogP: 0.19; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 38.33 Å2; (11)Index of Refraction: 1.445; (12)Molar Refractivity: 46.604 cm3; (13)Molar Volume: 175.029 cm3; (14)Polarizability: 18.475×10-24cm3; (15)Surface Tension: 30.389 dyne/cm; (16)Enthalpy of Vaporization: 45.716 kJ/mol ; (17)Vapour Pressure: 0.111 mmHg at 25°C. You can still convert the following datas into molecular structure:(1)SMILES:O=C(OCC)C1(C)CCNCC1; (2)InChI:InChI=1/C9H17NO2/c1-3-12-8(11)9(2)4-6-10-7-5-9/h10H,3-7H2,1-2H3; (3)InChIKey:YWXSWDQLJWHKMW-UHFFFAOYAU; (4)Std. InChI:InChI=1S/C9H17NO2/c1-3-12-8(11)9(2)4-6-10-7-5-9/h10H,3-7H2,1-2H3; (5)Std. InChIKey:YWXSWDQLJWHKMW-UHFFFAOYSA-N. |
| Flash Point: | 87 ºC |
| Safety Data | |
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