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| CAS No.: | 51154-06-4 |
|---|---|
| Name: | BOC-3,4-DEHYDRO-PRO-OH |
| Molecular Structure: | |
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| Formula: | C10H15NO4 |
| Molecular Weight: | 213.233 |
| Synonyms: | 1H-Pyrrole-1,2-dicarboxylicacid, 2,5-dihydro-, 1-(1,1-dimethylethyl) ester, (S)-;(S)-1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid;2,5-Dihydro-1-[(1,1-dimethylethoxy)carbonyl]-1H-pyrrole-2-(S)-carboxylic acid;1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid; |
| Density: | 1.236 g/cm3 |
| Melting Point: | 92-95oC |
| Boiling Point: | 336.4 °C at 760 mmHg |
| Flash Point: | 157.3 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36-50 |
| Safety: | 26-60-61 |
| PSA: | 66.84000 |
| LogP: | 1.18440 |
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Specification
The 1H-Pyrrole-1,2-dicarboxylicacid, 2,5-dihydro-, 1-(1,1-dimethylethyl) ester, (2S)- with CAS registry number of 51154-06-4 is also known as (S)-1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid. The systematic name is 1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid. It belongs to product categories of Amino Acids; A-H; Modified Amino Acids. In addition, the formula is C10H15NO4 and the molecular weight is 213.23. What's more, this chemical should be stored in sealed containers at the temperature of 2-8 °C.
Physical properties about 1H-Pyrrole-1,2-dicarboxylicacid, 2,5-dihydro-, 1-(1,1-dimethylethyl) ester, (2S)- are: (1)ACD/LogP: 0.53; (2)ACD/LogD (pH 5.5): -1.27; (3)ACD/LogD (pH 7.4): -2.89; (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: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.521; (12)Molar Refractivity: 52.53 cm3; (13)Molar Volume: 172.5 cm3; (14)Surface Tension: 49.1 dyne/cm; (15)Density: 1.236 g/cm3; (16)Flash Point: 157.3 °C; (17)Enthalpy of Vaporization: 63.7 kJ/mol; (18)Boiling Point: 336.4 °C at 760 mmHg; (19)Vapour Pressure: 2.11E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and very toxic to aquatic organisms. During using it, avoid release to the environment. This material and its container must be disposed of as hazardous waste. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(OC(C)(C)C)N1C(/C=C\C1)C(=O)O
2. InChI: InChI=1/C10H15NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h4-5,7H,6H2,1-3H3,(H,12,13)
3. InChIKey: BMIGSRMSSCUMAZ-UHFFFAOYAE