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132073-82-6

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Basic Information
CAS No.: 132073-82-6
Name: (S)-N-BENZYL-2-HYDROXYMETHYLMORPHOLINE
Article Data: 12
Molecular Structure:
Molecular Structure of 132073-82-6 ((S)-N-BENZYL-2-HYDROXYMETHYLMORPHOLINE)
Formula: C12H17NO2
Molecular Weight: 207.272
Synonyms: [(2S)-4-Benzyl-2-morpholinyl]methanol;
Density: 1.117 g/cm3
Boiling Point: 303.2 °C at 760 mmHg
Flash Point: 137.2 °C
PSA: 32.70000
LogP: 0.81760
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Specification

The 2-Morpholinemethanol,4-(phenylmethyl)-, (2S)-, with the CAS registry number of 132073-82-6, is also known as [(2S)-4-Benzyl-2-morpholinyl]methanol. Its molecular formula is C12H17NO2 and molecular weight is 207.268880. What's more, its IUPAC name is [(2S)-4-Benzylmorpholin-2-yl]methanol.

Physical properties about the 2-Morpholinemethanol,4-(phenylmethyl)-, (2S)- are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 21.7 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 59.01 cm3; (9)Molar Volume: 185.4 cm3; (10)Surface Tension: 43.4 dyne/cm; (11)Density: 1.117 g/cm3; (12)Flash Point: 137.2 °C; (13)Enthalpy of Vaporization: 57.39 kJ/mol; (14)Boiling Point: 303.2 °C at 760 mmHg; (15)Vapour Pressure: 0.000415 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC[C@H]2OCCN(Cc1ccccc1)C2
(2) InChI: InChI=1/C12H17NO2/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m0/s1
(3) InChIKey: WQNIKIMRIXHNFF-LBPRGKRZBX