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| CAS No.: | 136779-52-7 |
|---|---|
| Name: | trans-3,4-Dihydroxypyrrolidine |
| Molecular Structure: | |
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| Formula: | C4H9NO2 |
| Molecular Weight: | 103.121 |
| Synonyms: | 3,4-Pyrrolidinediol, (3R,4R)-; |
| Density: | 1.31 g/cm3 |
| Boiling Point: | 232.305 °C at 760 mmHg |
| Flash Point: | 144.006 °C |
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- Total:2 Page 1 of 1 1
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Specification
The trans-3,4-Dihydroxypyrrolidine, with the CAS registry number of 136779-52-7, is also known as 3,4-Pyrrolidinediol, (3R,4R)-. Its molecular formula is C4H9NO2 and molecular weight is 103.1198. What's more, its systematic name is (3R,4R)-Pyrrolidine-3,4-diol.
Physical properties about the trans-3,4-Dihydroxypyrrolidine are: (1)ACD/LogP: -1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.49 Å2; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 24.976 cm3; (13)Molar Volume: 78.723 cm3; (14)Surface Tension: 47.285 dyne/cm; (15)Density: 1.31 g/cm3; (16)Flash Point: 144.006 °C; (17)Enthalpy of Vaporization: 54.517 kJ/mol; (18)Boiling Point: 232.305 °C at 760 mmHg; (19)Vapour Pressure: 0.011 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H]1CNC[C@H]1O
(2) InChI: InChI=1/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4-/m1/s1
(3) InChIKey: JCZPOYAMKJFOLA-QWWZWVQMBO