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(S)-3-Hydroxymethylmorpholine

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Name

(S)-3-Hydroxymethylmorpholine

EINECS N/A
CAS No. 211053-50-8 Density 1.045 g/cm3
PSA 41.49000 LogP -0.70410
Solubility N/A Melting Point 112 °C
Formula C5H11NO2 Boiling Point 218.3 °C at 760 mmHg
Molecular Weight 117.148 Flash Point 85.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 211053-50-8 (3(S)-HYDROXYMETHYLMORPHOLINE) Hazard Symbols N/A
Synonyms

(3S)-3-(Hydroxymethyl)morpholine;(S)-3-Morpholinemethanol;

Article Data 7

(S)-3-Hydroxymethylmorpholine Specification

This chemical is called 3-Morpholinemethanol,(3S)-, and its systematic name is (3S)-morpholin-3-ylmethanol. With the molecular formula of C5H11NO2, its molecular weight is 117.15. The CAS registry number of the chemical is 211053-50-8. Additionally, its product category is Pharmacetical.

Other characteristics of 3-Morpholinemethanol,(3S)- can be summarised as followings: (1)ACD/LogP: -1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.4; (4)ACD/LogD (pH 7.4): -2.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 29.62 cm3; (15)Molar Volume: 112.1 cm3; (16)Polarizability: 11.74×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.045 g/cm3; (19)Flash Point: 85.9 °C; (20)Enthalpy of Vaporization: 52.88 kJ/mol; (21)Boiling Point: 218.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0268 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OC[C@@H]1NCCOC1
2.InChI: InChI=1/C5H11NO2/c7-3-5-4-8-2-1-6-5/h5-7H,1-4H2/t5-/m0/s1
3.InChIKey: UCDFBOLUCCNTDQ-YFKPBYRVBG
4.Std. InChI: InChI=1S/C5H11NO2/c7-3-5-4-8-2-1-6-5/h5-7H,1-4H2/t5-/m0/s1
5.Std. InChIKey: UCDFBOLUCCNTDQ-YFKPBYRVSA-N

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