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CAS No.: | 1206228-66-1 |
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Name: | Methyl 4-ethylpiperidine-4-carboxylate hydrochloride |
Molecular Structure: | |
Formula: | C9H17NO2 |
Molecular Weight: | 171.24 |
Synonyms: | Methyl 4-ethylpiperidine-4-carboxylate;Methyl 4-ethyl-4-piperidinecarboxylate; |
Density: | 0.972 g/cm3 |
Boiling Point: | 221.008 °C at 760 mmHg |
Flash Point: | 87.463 °C |
PSA: | 38.33000 |
LogP: | 1.26800 |
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The 4-Piperidinecarboxylic acid, 4-ethyl-, methyl ester, with the CAS registry number 1206228-66-1, is also known as Methyl 4-ethyl-4-piperidinecarboxylate. This chemical's molecular formula is C9H17NO2 and molecular weight is 171.24. What's more, its systematic name is methyl 4-ethylpiperidine-4-carboxylate.
Physical properties of 4-Piperidinecarboxylic acid, 4-ethyl-, methyl ester are: (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: 1.442; (12)Molar Refractivity: 46.589 cm3; (13)Molar Volume: 176.102 cm3; (14)Polarizability: 18.469×10-24cm3; (15)Surface Tension: 29.655 dyne/cm; (16)Density: 0.972 g/cm3; (17)Flash Point: 87.463 °C; (18)Enthalpy of Vaporization: 45.744 kJ/mol; (19)Boiling Point: 221.008 °C at 760 mmHg; (20)Vapour Pressure: 0.11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC1(CCNCC1)C(=O)OC
(2)InChI: InChI=1S/C9H17NO2/c1-3-9(8(11)12-2)4-6-10-7-5-9/h10H,3-7H2,1-2H3
(3)InChIKey: VUYOLFCBKTYCAL-UHFFFAOYSA-N