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3-Pyrrolidinemethanol,(3S)- (110013-19-9)

Identification
Name:3-Pyrrolidinemethanol,(3S)-
Synonyms:3-Pyrrolidinemethanol,(S)-;(S)-1-(Pyrrolidin-3-yl)methanol;(S)-3-Pyrrolidinemethanol;3-(S)-Hydroxymethylpyrrolidine;
CAS:110013-19-9
Molecular Formula: C5H11NO
Molecular Weight: 101.15
InChI: InChI=1/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2/t5-/m0/s1
Molecular Structure: (C5H11NO) 3-Pyrrolidinemethanol,(S)-;(S)-1-(Pyrrolidin-3-yl)methanol;(S)-3-Pyrrolidinemethanol;3-(S)-Hydroxyme...
Properties
Density:0.978
Refractive index:1.454
Specification:

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

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