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316141-37-4

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Basic Information
CAS No.: 316141-37-4
Name: 1-Pyrrolidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester
Article Data: 4
Molecular Structure:
Molecular Structure of 316141-37-4 (1-Pyrrolidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester)
Formula: C11H17NO2
Molecular Weight: 195.261
Synonyms: 1-tert-Butoxycarbonyl-2-ethynylpyrrolidine;
Density: 1.041 g/cm3
Boiling Point: 249.165 °C at 760 mmHg
Flash Point: 104.491 °C
PSA: 29.54000
LogP: 1.95700
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Specification

The CAS registry number of 1-Pyrrolidinecarboxylicacid, 2-ethynyl-, 1,1-dimethylethyl ester is 316141-37-4. This chemical's molecular formula is C11H17NO2 and molecular weight is 195.26. Its systematic name is called tert-butyl 2-ethynylpyrrolidine-1-carboxylate.

Physical properties of 1-Pyrrolidinecarboxylicacid, 2-ethynyl-, 1,1-dimethylethyl ester: (1)ACD/LogP: 2.09; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 9; (5)ACD/BCF (pH 7.4): 9; (6)ACD/KOC (pH 5.5): 164; (7)ACD/KOC (pH 7.4): 164; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.492; (11)Molar Refractivity: 54.461 cm3; (12)Molar Volume: 187.589 cm3; (13)Surface Tension: 38.26 dyne/cm; (14)Density: 1.041 g/cm3; (15)Flash Point: 104.491 °C; (16)Enthalpy of Vaporization: 48.639 kJ/mol; (17)Boiling Point: 249.165 °C at 760 mmHg; (18)Vapour Pressure: 0.023 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCCC1C#C
(2)InChI: InChI=1/C11H17NO2/c1-5-9-7-6-8-12(9)10(13)14-11(2,3)4/h1,9H,6-8H2,2-4H3
(3)InChIKey: MKFYNQAKTJFISL-UHFFFAOYAR