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| CAS No.: | 203869-80-1 |
|---|---|
| Name: | BOC-ALPHA-ALLYL-ME-DL-PRO-OH |
| Molecular Structure: | |
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| Formula: | C11H19NO4 |
| Molecular Weight: | 229.276 |
| Synonyms: | 1-(tert-Butoxycarbonyl)-2-methylproline;1-Boc-2-methyl-2-pyrrolidinecarboxylic acid;1-Boc-2-methyl-DL-proline;2-Methyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester;Boc-α-Me-DL-Pro-OH;Boc-α-methyl-DL-proline; |
| Density: | 1.16 g/cm3 |
| Melting Point: | 91-94 °C |
| Boiling Point: | 337.8 °C at 760 mmHg |
| Flash Point: | 158.1 °C |
| Appearance: | White to gray powder |
| PSA: | 66.84000 |
| LogP: | 1.79850 |
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Specification
The 1,2-Pyrrolidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) ester with CAS registry number of 203869-80-1 is also known as 1-Boc-2-methyl-2-pyrrolidinecarboxylic acid. The systematic name is 1-(tert-Butoxycarbonyl)-2-methylproline. In addition, the formula is C11H19NO4 and the molecular weight is 229.27. Besides, this chemical is a white to gray powder and should be sealed in cool, dry place and away from oxidizing agents.
Physical properties about 1,2-Pyrrolidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) ester are: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): -0.22; (3)ACD/LogD (pH 7.4): -1.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.5; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 57.54 cm3; (13)Molar Volume: 197.6 cm3; (14)Surface Tension: 43.5 dyne/cm; (15)Density: 1.16 g/cm3; (16)Flash Point: 158.1 °C; (17)Enthalpy of Vaporization: 63.86 kJ/mol; (18)Boiling Point: 337.8 °C at 760 mmHg; (19)Vapour Pressure: 1.92E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(OC(C)(C)C)N1C(C(=O)O)(CCC1)C
2. InChI: InChI=1/C11H19NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)
3. InChIKey: YQXRKJHVAUKXRN-UHFFFAOYAR
4. Std. InChI: InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)
5. Std. InChIKey: YQXRKJHVAUKXRN-UHFFFAOYSA-N