Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Boc-4-ethynylpiperidine |
EINECS | N/A |
CAS No. | 287192-97-6 | Density | 1.026 g/cm3 |
PSA | 29.54000 | LogP | 2.20460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H19NO2 | Boiling Point | 269.583 °C at 760 mmHg |
Molecular Weight | 209.288 | Flash Point | 116.84 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Ethynylpiperidine-1-carboxylicacid tert-butyl ester;4-Ethynylpiperidine-1-carboxylic acid tert-butyl ester;tert-Butyl 4-ethynylpiperidine-1-carboxylate; |
Article Data | 27 |
The CAS register number of 1-Boc-4-ethynylpiperidine is 287192-97-6. It also can be called as 1-Piperidinecarboxylic acid, 4-ethynyl-, 1,1-dimethylethyl ester and the IUPAC name about this chemical is tert-butyl 4-ethynylpiperidine-1-carboxylate. The molecular formula about this chemical is C12H19NO2 and the molecular weight is 209.28. It belongs to the Pharmacetical.
Physical properties about 1-Boc-4-ethynylpiperidine are: (1)ACD/LogP: 2.46; (2)ACD/LogD (pH 5.5): 2.461; (3)ACD/LogD (pH 7.4): 2.461; (4)ACD/BCF (pH 5.5): 43.664; (5)ACD/BCF (pH 7.4): 43.664; (6)ACD/KOC (pH 5.5): 519.535; (7)ACD/KOC (pH 7.4): 519.535; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.54Å2; (11)Index of Refraction: 1.491; (12)Molar Refractivity: 59.092 cm3; (13)Molar Volume: 203.963 cm3; (14)Polarizability: 23.426x10-24cm3; (15)Surface Tension: 38.065 dyne/cm; (16)Enthalpy of Vaporization: 50.772 kJ/mol; (17)Boiling Point: 269.583 °C at 760 mmHg; (18)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C#C
(2)InChI: InChI=1/C12H19NO2/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
(3)InChIKey: INUWDZDWSJJFSQ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H19NO2/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
(5)Std. InChIKey: INUWDZDWSJJFSQ-UHFFFAOYSA-N