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| CAS No.: | 211053-50-8 |
|---|---|
| Name: | 3(S)-HYDROXYMETHYLMORPHOLINE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C5H11NO2 |
| Molecular Weight: | 117.148 |
| Synonyms: | (3S)-3-(Hydroxymethyl)morpholine;(S)-3-Morpholinemethanol; |
| Density: | 1.045 g/cm3 |
| Melting Point: | 112 °C |
| Boiling Point: | 218.3 °C at 760 mmHg |
| Flash Point: | 85.9 °C |
| PSA: | 41.49000 |
| LogP: | -0.70410 |
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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