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CAS No.: | 309962-67-2 |
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Name: | (R)-3-N-Boc-3-(methylamino)piperidine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C11H22N2O2 |
Molecular Weight: | 214.30 |
Synonyms: | tert-Butyl (3R)-3-(methylamino)piperidine-3-carboxylate;3-piperidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester, (3R)-; |
Density: | 1.019 g/cm3 |
Boiling Point: | 287.863 °C at 760 mmHg |
Flash Point: | 127.895 °C |
PSA: | 41.57000 |
LogP: | 1.93410 |
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The CAS register number of tert-Butyl (3R)-3-(methylamino)piperidine-3-carboxylate is 309962-67-2. It also can be called as 3-piperidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester, (3R)- and the systematic name about this chemical is tert-butyl (3R)-3-(methylamino)piperidine-3-carboxylate. The molecular formula about this chemical is C11H22N2O2 and the molecular weight is 214.3046.
Physical properties about tert-Butyl (3R)-3-(methylamino)piperidine-3-carboxylate are: (1)ACD/LogP: 1.10; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1.448; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 50.36Å2; (10)Index of Refraction: 1.481; (11)Molar Refractivity: 60.107 cm3; (12)Molar Volume: 211.371 cm3; (13)Polarizability: 23.828x10-24cm3; (14)Surface Tension: 35.413 dyne/cm; (15)Flash Point: 124.442 °C; (16)Enthalpy of Vaporization: 52.1 kJ/mol; (17)Boiling Point: 282.153 °C at 760 mmHg; (18)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)[C@]1(CCCNC1)NC
(2)InChI: InChI=1/C11H22N2O2/c1-10(2,3)15-9(14)11(12-4)6-5-7-13-8-11/h12-13H,5-8H2,1-4H3/t11-/m1/s1
(3)InChIKey: CAYDBSFSSDWEDD-LLVKDONJBC
(4)Std. InChI: InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)11(12-4)6-5-7-13-8-11/h12-13H,5-8H2,1-4H3/t11-/m1/s1
(5)Std. InChIKey: CAYDBSFSSDWEDD-LLVKDONJSA-N