Basic Information | Post buying leads | Suppliers |
Name |
(R)-1-N-Boc-3-(2-hydroxyethyl)piperidine |
EINECS | N/A |
CAS No. | 389889-62-7 | Density | 1.043 g/cm3 |
PSA | 49.77000 | LogP | 1.95380 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H23NO3 | Boiling Point | 324.1 °C at 760 mmHg |
Molecular Weight | 229.32 | Flash Point | 149.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
tert-Butyl(3R)-3-(2-hydroxyethyl)tetrahydropyridine-1(2H)-carboxylate; |
The (R)-1-N-Boc-3-(2-hydroxyethyl)piperidine, with the CAS registry number 389889-62-7, is also known as 1-Piperidinecarboxylic acid, 3-(2-hydroxyethyl)-, 1,1-dimethylethyl ester, (3R)- and (R)-3-(2-Hydroxyethyl)piperidine-1-carboxylic acid tert-butyl ester. This chemical's molecular formula is C12H23NO3 and formula weight is 229.32. What's more, its systematic name is called tert-Butyl (3R)-3-(2-hydroxyethyl)piperidine-1-carboxylate.
Physical properties about this chemical are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 49.77 Å2; (9)Index of Refraction: 1.478; (10)Molar Refractivity: 62.3 cm3; (11)Molar Volume: 219.7 cm3; (12)Surface Tension: 37.5 dyne/cm; (13)Density: 1.043 g/cm3; (14)Flash Point: 149.8 °C; (15)Enthalpy of Vaporization: 65.61 kJ/mol; (16)Boiling Point: 324.1 °C at 760 mmHg; (17)Vapour Pressure: 1.97E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1C[C@H](CCC1)CCO
(2)InChI: InChI=1/C12H23NO3/c1-12(2,3)16-11(15)13-7-4-5-10(9-13)6-8-14/h10,14H,4-9H2,1-3H3/t10-/m1/s1
(3)InChIKey: DXABICKZWDHPIP-SNVBAGLBBT