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| CAS No.: | 239483-09-1 |
|---|---|
| Name: | (S)-2-(AMINOETHYL)-1-N-BOC-PYRROLIDINE |
| Molecular Structure: | |
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| Formula: | C11H22N2O2 |
| Molecular Weight: | 214.308 |
| Synonyms: | tert-Butyl (2S)-2-(2-aminoethyl)-1-pyrrolidinecarboxylate;2-Ethyl-pyrrolidine-1-carboxylicacid tert-butyl ester; |
| Density: | 1.029 g/cm3 |
| Boiling Point: | 297.5 °C at 760 mmHg |
| Flash Point: | 133.7 °C |
| PSA: | 55.56000 |
| LogP: | 2.37290 |
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Specification
The 1-Pyrrolidinecarboxylicacid, 2-(2-aminoethyl)-, 1,1-dimethylethyl ester, (2S)-, with the CAS registry number 239483-09-1, is also known as (S)-2-(2-Amino-ethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester. This chemical's molecular formula is C11H22N2O2 and molecular weight is 214.3046. Its systematic name is called tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate.
Physical properties of 1-Pyrrolidinecarboxylicacid, 2-(2-aminoethyl)-, 1,1-dimethylethyl ester, (2S)-: (1)ACD/LogP: 0.87; (2)ACD/LogD (pH 5.5): -2.23; (3)ACD/LogD (pH 7.4): -1.81; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.485; (12)Molar Refractivity: 59.69 cm3; (13)Molar Volume: 208.2 cm3; (14)Surface Tension: 37.9 dyne/cm; (15)Density: 1.029 g/cm3; (16)Flash Point: 133.7 °C; (17)Enthalpy of Vaporization: 53.73 kJ/mol; (18)Boiling Point: 297.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00135 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@@H](CCC1)CCN
(2)InChI: InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-8,12H2,1-3H3/t9-/m0/s1
(3)InChIKey: VCYKQOGWPICUKV-VIFPVBQEBG