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CAS No.: | 156185-63-6 |
---|---|
Name: | TERT-BUTYL 4-(3-HYDROXYPROPYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C13H25NO3 |
Molecular Weight: | 243.346 |
Synonyms: | 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)propanol;3-(N-Boc-piperidin-4-yl)propanol;4-(3-Hydroxypropyl)piperidine-1-carboxylicacid tert-butyl ester;tert-Butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-Butyl 4-(3-hydroxypropyl)tetrahydropyridine-1(2H)-carboxylate; |
Density: | 1.029 g/cm3 |
Boiling Point: | 339.8 °C at 760 mmHg |
Flash Point: | 159.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 49.77000 |
LogP: | 2.34390 |
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The 1-Piperidinecarboxylicacid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester is an organic compound with the formula C13H25NO3. The systematic name of this chemical is Tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate. With the CAS registry number 156185-63-6, it is also named as 4-(3-Hydroxy-propyl)-piperidine-1-carboxylic acid tert-butyl ester. The product's categories are Pyrans, Piperidines and Piperazines. Besides, its molecular weight is 243.34.
Physical properties about 1-Piperidinecarboxylicacid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 9.82; (5)ACD/BCF (pH 7.4): 9.82; (6)ACD/KOC (pH 5.5): 178.51; (7)ACD/KOC (pH 7.4): 178.51; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.478; (13)Molar Refractivity: 66.93 cm3; (14)Molar Volume: 236.2 cm3; (15)Polarizability: 26.53×10-24 cm3; (16)Surface Tension: 37.3 dyne/cm; (17)Density: 1.029 g/cm3; (18)Flash Point: 159.3 °C; (19)Enthalpy of Vaporization: 67.56 kJ/mol; (20)Boiling Point: 339.8 °C at 760 mmHg; (21)Vapour Pressure: 6E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C13H25NO3/c1-13(2,3)17-12(16)14-8-6-11(7-9-14)5-4-10-15/h11,15H,4-10H2,1-3H3
(2)InChIKey: OXPWHPCCUXESFQ-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-6-11(7-9-14)5-4-10-15/h11,15H,4-10H2,1-3H3
(4)Std. InChIKey: OXPWHPCCUXESFQ-UHFFFAOYSA-N