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CAS No.: | 147202-35-5 |
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Name: | 2-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER HCL |
Molecular Structure: | |
Formula: | C10H19NO2 |
Molecular Weight: | 185.26 |
Synonyms: | tert-Butyl piperidine-2-carboxylate; |
Density: | 0.976 g/cm3 |
Boiling Point: | 241 °C at 760 mmHg |
Flash Point: | 99.5 °C |
PSA: | 38.33000 |
LogP: | 2.60100 |
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The 2-Piperidinecarboxylic acid t-butyl ester has the CAS registry number 147202-35-5. This chemical's molecular formula is C10H19NO2 and molecular weight is 185.26. What's more, its systematic name is tert-Butyl piperidine-2-carboxylate.
Physical properties of 2-Piperidinecarboxylic acid t-butyl ester are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.32; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 51.22 cm3; (15)Molar Volume: 189.6 cm3; (16)Polarizability: 20.3×10-24 cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.976 g/cm3; (19)Flash Point: 99.5 °C; (20)Enthalpy of Vaporization: 47.79 kJ/mol; (21)Boiling Point: 241 °C at 760 mmHg; (22)Vapour Pressure: 0.0369 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)C1NCCCC1
(2)InChI: InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3
(3)InChIKey: MESKMUAFJDWOAR-UHFFFAOYSA-N