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| CAS No.: | 848616-45-5 |
|---|---|
| Name: | cis-pyrrolidine-3,4-diyldimethanol |
| Molecular Structure: | |
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| Formula: | C6H13NO2 |
| Molecular Weight: | 131.175 |
| Synonyms: | [(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol; |
| Density: | 1.076 g/cm3 |
| Boiling Point: | 263.4 °C at 760 mmHg |
| Flash Point: | 137.5 °C |
| PSA: | 52.49000 |
| LogP: | -0.86460 |
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- Total:21 Page 1 of 1 1
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Specification
The chemical with CAS registry number of 848616-45-5 is known as cis-pyrrolidine-3,4-diyldimethanol. It's systematic name is [(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol. In addition, the formula is C6H13NO2 and the molecular weight is 131.17.
Physical properties about cis-pyrrolidine-3,4-diyldimethanol are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 21.7Å2; (9)Index of Refraction: 1.473; (10)Molar Refractivity: 34.25 cm3; (11)Molar Volume: 121.8 cm3; (12)Polarizability: 13.57×10-24cm3; (13)Surface Tension: 44.6 dyne/cm; (14)Density: 1.076 g/cm3; (15)Flash Point: 137.5 °C; (16)Enthalpy of Vaporization: 58.21 kJ/mol; (17)Boiling Point: 263.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00145 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: C1C(C(CN1)CO)CO
2. InChI: InChI=1/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2/t5-,6+
3. InChIKey: ZRERAZQFEFFXSJ-OLQVQODUBU
4. Std. InChI: InChI=1S/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2/t5-,6+
5. Std. InChIKey: ZRERAZQFEFFXSJ-OLQVQODUSA-N