-
Name
1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester
- EINECS
- CAS No. 664362-16-7
- Article Data8
- 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 1,1-Dimethylethyl3-ethynyl-1-piperidinecarboxylate;1-(tert-Butoxycarbonyl)-3-ethynylpiperidine;3-Ethynylpiperidine-1-carboxylic acid tert-butyl ester;tert-Butyl3-ethynylpiperidine-1-carboxylate;
- PSA 29.54000
- LogP 2.20460
tert-Butyl 3-ethynylpiperidine-1-carboxylate Specification
The CAS register number of tert-Butyl 3-ethynylpiperidine-1-carboxylate is 664362-16-7. It also can be called as 1-Piperidinecarboxylicacid, 3-ethynyl-, 1,1-dimethylethyl ester and the systematic name about this chemical is tert-butyl 3-ethynylpiperidine-1-carboxylate. The molecular formula about this chemical is C12H19NO2 and molecular weight is 209.28.
Physical properties about tert-Butyl 3-ethynylpiperidine-1-carboxylate are: (1)ACD/LogP: 2.49; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 23; (5)ACD/BCF (pH 7.4): 23; (6)ACD/KOC (pH 5.5): 325; (7)ACD/KOC (pH 7.4): 325; (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)N1CCCC(C1)C#C
(2)InChI: InChI=1/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
(3)InChIKey: IJHRDEPFBAXIMW-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
(5)Std. InChIKey: IJHRDEPFBAXIMW-UHFFFAOYSA-N
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