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CAS No.: | 161948-70-5 |
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Name: | 1-Piperidinecarboxylicacid, 4-(carboxymethoxy)-, 1-(1,1-dimethylethyl) ester |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C12H21NO5 |
Molecular Weight: | 259.30 |
Synonyms: | 2-[(N-(tert-Butoxycarbonyl)piperidin-4-yl)oxy]aceticacid;[1-(tert-Butoxycarbonyl)-4-piperidinyloxy]acetic acid;1-Boc-4-carboxymethoxy-piperidine; |
Density: | 1.18 g/cm3 |
Melting Point: | 105-107℃ |
Boiling Point: | 406.712 °C at 760 mmHg |
Flash Point: | 199.772 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 45 |
PSA: | 76.07000 |
LogP: | 1.42500 |
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The 1-Piperidinecarboxylicacid, 4-(carboxymethoxy)-, 1-(1,1-dimethylethyl) ester is an organic compound with the formula C12H21NO5. The IUPAC name of this chemical is 2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetic acid. With the CAS registry number 161948-70-5, it is also named as 4-Carboxymethoxy-piperidine-1-carboxylic acidtert-butyl ester. The product's category is pharmacetical. Besides, its molecular weight is 259.3.
Physical properties about 1-Piperidinecarboxylicacid, 4-(carboxymethoxy)-, 1-(1,1-dimethylethyl) ester are: (1)ACD/LogP: 0.37; (2)ACD/LogD (pH 5.5): -1.7; (3)ACD/LogD (pH 7.4): -3.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 65.07 Å2; (12)Index of Refraction: 1.5; (13)Molar Refractivity: 64.67 cm3; (14)Molar Volume: 219.7 cm3; (15)Polarizability: 25.64×10-24 cm3; (16)Surface Tension: 45.1 dyne/cm; (17)Density: 1.17 g/cm3; (18)Flash Point: 199.8 °C; (19)Enthalpy of Vaporization: 72.25 kJ/mol; (20)Boiling Point: 406.7 °C at 760 mmHg; (21)Vapour Pressure: 9.4E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H21NO5/c1-12(2,3)18-11(16)13-6-4-9(5-7-13)17-8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
(2)InChIKey: YHUAHIMRWSVXCN-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-4-9(5-7-13)17-8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
(4)Std. InChIKey: YHUAHIMRWSVXCN-UHFFFAOYSA-N