| Identification | |
| Name: | 2-Piperidinecarboxylicacid, 1-(phenylmethyl)- |
| Synonyms: | Pipecolicacid, 1-benzyl- (8CI);1-Benzyl-2-piperidinecarboxylic acid;1-benzyl-2-piperidinecarboxylic acid; |
| CAS: | 21319-53-9 |
| Molecular Formula: | C13H17NO2 |
| Molecular Weight: | 219.28 |
| InChI: | InChI=1/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.165 g/cm3 |
| Refractive index: | 1.572 |
| Specification: |
The 1-Benzylpiperidine-2-carboxylic acid, with the cas registry number 21319-53-9, is also called 1-benzyl-2-piperidinecarboxylic acid. It belongs to the product category of Piperidine. And the molecular formula of the chemical is C13H17NO2. The characteristics of this chemical are as followings: (1)ACD/LogP: 1.92; (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: 29.54 Å2; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 61.89 cm3; (13)Molar Volume: 188 cm3; (14)Polarizability: 24.53×10-24cm3; (15)Surface Tension: 50.3 dyne/cm; (16)Density: 1.165 g/cm3; (17)Flash Point: 170.7 °C; (18)Enthalpy of Vaporization: 63.74 kJ/mol; (19)Boiling Point: 358.6 °C at 760 mmHg; (20)Vapour Pressure: 9.13E-06 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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