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| CAS No.: | 186393-31-7 |
|---|---|
| Name: | trans-3,4-Dihydroxypyrrolidine |
| Molecular Structure: | |
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| Formula: | C4H9NO2 |
| Molecular Weight: | 103.121 |
| Synonyms: | (3R,4R)-3,4-Dihydroxypyrrolidine;3,4-Pyrrolidinediol,(3R-trans)-;(R,R)-trans-Pyrrolidine-3,4-diol;(3R-trans)-3,4-Pyrrolidinediol;(R,R)-3,4-Dihydroxypyrrolidine; |
| Density: | 1.309 g/cm3 |
| Melting Point: | 98-99 °C |
| Boiling Point: | 232.305 °C at 760 mmHg |
| Flash Point: | 144.006 °C |
| PSA: | 52.49000 |
| LogP: | -1.35980 |
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Specification
This chemical is called 3,4-Pyrrolidinediol, (3R,4R)-, and its systematic name is (3R,4R)-pyrrolidine-3,4-diol. With the molecular formula of C4H9NO2, its molecular weight is 103.12. The CAS registry number of this chemical is 186393-31-7. Additionally, its product category is Pharmacetical.
Other characteristics of the 3,4-Pyrrolidinediol, (3R,4R)- can be summarised as followings: (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)Polarizability: 9.901×10-24cm3; (15)Surface Tension: 47.285 dyne/cm; (16)Density: 1.31 g/cm3; (17)Flash Point: 144.006 °C; (18)Enthalpy of Vaporization: 54.517 kJ/mol; (19)Boiling Point: 232.305 °C at 760 mmHg; (20)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