1-Boc-4-ethynylpiperidine supplier

Name
1-Boc-4-ethynylpiperidine
EINECS
CAS No. 287192-97-6
Article Data27
CAS DataBase
Density 1.026 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₉NO₂
Boiling Point 269.583 °C at 760 mmHg
Molecular Weight 209.288
Flash Point 116.84 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Ethynylpiperidine-1-carboxylicacid tert-butyl ester;4-Ethynylpiperidine-1-carboxylic acid tert-butyl ester;tert-Butyl 4-ethynylpiperidine-1-carboxylate;
PSA 29.54000
LogP 2.20460

1-Boc-4-ethynylpiperidine Specification

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 C₁₂H₁₉NO₂and 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^-24cm^3; (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

Product Name

1-Boc-4-ethynylpiperidine

1-Boc-4-ethynylpiperidine Specification

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