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| CAS No.: | 5724-76-5 |
|---|---|
| Name: | 3-(2,5-dioxopyrrolidin-1-yl)propanoic acid |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C7H9NO4 |
| Molecular Weight: | 171.1507 |
| Synonyms: | 1-Pyrrolidinepropionicacid, 2,5-dioxo- (6CI,7CI,8CI);2,5-Dioxopyrrolidinepropanoic acid;3-(2,5-Dioxopyrrolidin-1-yl)propanoic acid;3-Succinimidopropionic acid;NSC58206;b-(N-Succinimido)propionic acid; |
| Density: | 1.408 g/cm3 |
| Melting Point: | 131-132 °C(Solv: ethanol (64-17-5)) |
| Boiling Point: | 427.9 °C at 760 mmHg |
| Flash Point: | 212.6 °C |
| PSA: | 74.68000 |
| LogP: | -0.45200 |
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- Total:17 Page 1 of 1 1
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Specification
The CAS register number of 1-Pyrrolidinepropanoicacid, 2,5-dioxo- is 5724-76-5. It also can be called as 3-(2,5-dioxoazolidinyl)propanoic acid and the IUPAC name about this chemical is 3-(2,5-dioxopyrrolidin-1-yl)propanoic acid. The molecular formula about this chemical is C7H9NO4 and the molecular weight is 171.1507.
Physical properties about 1-Pyrrolidinepropanoicacid, 2,5-dioxo- are: (1)ACD/LogP: -1.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 63.68Å2; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 37.79 cm3; (12)Molar Volume: 121.4 cm3; (13)Polarizability: 14.98x10-24cm3; (14)Surface Tension: 61 dyne/cm; (15)Enthalpy of Vaporization: 74.9 kJ/mol; (16)Boiling Point: 427.9 °C at 760 mmHg; (17)Vapour Pressure: 1.6E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by succinic acid anhydride and beta-alanine. This reaction temperature is 170 ℃.
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Uses of 1-Pyrrolidinepropanoicacid, 2,5-dioxo-: it can be used to produce N,N-succinyl-beta-alanine ethyl ester with ethanol at ambient temperature. This reaction will need reagent H2SO4. The yield is about 54%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCN1C(=O)CCC1=O
(2)InChI: InChI=1/C7H9NO4/c9-5-1-2-6(10)8(5)4-3-7(11)12/h1-4H2,(H,11,12)
(3)InChIKey: DPISPNNORVOBQY-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H9NO4/c9-5-1-2-6(10)8(5)4-3-7(11)12/h1-4H2,(H,11,12)
(5)Std. InChIKey: DPISPNNORVOBQY-UHFFFAOYSA-N