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CAS No.: | 110013-19-9 |
---|---|
Name: | (S)-Pyrrolidin-3-ylmethanol |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C5H11NO |
Molecular Weight: | 101.148 |
Synonyms: | 3-Pyrrolidinemethanol,(S)-;(S)-1-(Pyrrolidin-3-yl)methanol;(S)-3-Pyrrolidinemethanol;3-(S)-Hydroxymethylpyrrolidine; |
Density: | 0.979 g/cm3 |
Melting Point: | 174-176℃ |
Boiling Point: | 176.136 °C at 760 mmHg |
Flash Point: | 89.626 °C |
Solubility: | Slightly soluble in water |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37-60 |
PSA: | 32.26000 |
LogP: | -0.08300 |
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The systematic name of (S)-Pyrrolidin-3-ylmethanol is (3S)-Pyrrolidin-3-ylmethanol. With the CAS registry number 110013-19-9, it is also named as 3-(S)-Hydroxymethylpyrrolidine. The product's category is Pyrrolidine. In addition, its molecular formula is C5H11NO and its molecular weight is 101.15.
The other characteristics of (S)-Pyrrolidin-3-ylmethanol can be summarized as: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 2; (4)H bond donors: 2; (5)Freely Rotating Bonds: 2; (6)Nominal mass: 101; (7)Average mass: 101.1469; (8)Monoisotopic mass: 101.084064; (9)Polar Surface Area: 12.47 Å2; (10)Index of Refraction: 1.454; (11)Molar Refractivity: 28.02 cm3; (12)Molar Volume: 103.3 cm3; (13)Polarizability: 11.1×10-24cm3; (14)Surface Tension: 36.5 dyne/cm; (15)Density: 0.978 g/cm3; (16)Flash Point: 89.6 °C; (17)Enthalpy of Vaporization: 48.02 kJ/mol; (18)Boiling Point: 176.1 °C at 760 mmHg; (19)Vapour Pressure: 0.339 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:OC[C@@H]1CNCC1
(2)InChI:InChI=1/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2/t5-/m0/s1
(3)InChIKey:QOTUIIJRVXKSJU-YFKPBYRVBH
(4)Std. InChI:InChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2/t5-/m0/s1
(5)Std. InChIKey:QOTUIIJRVXKSJU-YFKPBYRVSA-N