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| CAS No.: | 203662-51-5 |
|---|---|
| Name: | 4-Hydroxy-4-(2-propenyl)piperidine-1-carboxylic acid tert-butyl ester |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C13H23NO3 |
| Molecular Weight: | 241.33 |
| Synonyms: | 4-Hydroxy-4-(2-propenyl)piperidine-1-carboxylic acid tert-butyl ester;tert-butyl 4-allyl-4-hydroxypiperidine-1-carboxylate;1-Piperidinecarboxylic acid, 4-hydroxy-4-(2-propen-1-yl)-, 1,1-diMethylethyl ester;1-Piperidinecarboxylic acid, 4-hydroxy-4-(2-propenyl)-, 1,1-diMethylethyl ester;4-Allyl-1-Boc-4-hydroxypiperidine;1-Boc-4-allyl-4-hydroxypiperidine |
| Density: | 1.053 g/cm3 |
| Boiling Point: | 318.135 °C at 760 mmHg |
| Flash Point: | 146.203 °C |
| PSA: | 49.77000 |
| LogP: | 2.26240 |
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- Total:23 Page 1 of 1 1
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Specification
The tert-Butyl 4-allyl-4-hydroxypiperidine-1-carboxylate, with the CAS registry number 203662-51-5, has the systematic name of tert-butyl 4-hydroxy-4-(prop-2-en-1-yl)piperidine-1-carboxylate. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C13H23NO3.
The characteristics of tert-Butyl 4-allyl-4-hydroxypiperidine-1-carboxylate are as followings: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 254; (8)ACD/KOC (pH 7.4): 254; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.77 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 66.621 cm3; (15)Molar Volume: 229.288 cm3; (16)Polarizability: 26.41×10-24cm3; (17)Surface Tension: 38.663 dyne/cm; (18)Density: 1.053 g/cm3; (19)Flash Point: 146.203 °C; (20)Enthalpy of Vaporization: 64.873 kJ/mol; (21)Boiling Point: 318.135 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(O)(CC1)CC=C
(2)InChI: InChI=1/C13H23NO3/c1-5-6-13(16)7-9-14(10-8-13)11(15)17-12(2,3)4/h5,16H,1,6-10H2,2-4H3
(3)InChIKey: BWHACQPKDGMQIK-UHFFFAOYAR