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| CAS No.: | 21977-09-3 |
|---|---|
| Name: | MORPHOLIN-4-YL-ACETALDEHYDE MONOHYDRATE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C6H11NO2 |
| Molecular Weight: | 129.159 |
| Synonyms: | 2-Morpholinoacetaldehyde; |
| Density: | 1.046 g/cm3 |
| Boiling Point: | 308.4 °C at 760 mmHg |
| Flash Point: | 140.3 °C |
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 29.54000 |
| LogP: | -0.54460 |
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Specification
The 4-Morpholineacetaldehyde, with the CAS registry number of 21977-09-3, is also known as 2-Morpholinoacetaldehyde. This chemical's molecular formula is C6H11NO2 and molecular weight is 129.16. What's more, its systematic name is Morpholin-4-ylacetaldehyde.
Physical properties about the 4-Morpholineacetaldehyde are: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.59; (8)ACD/KOC (pH 7.4): 17.72; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 33.13 cm3; (15)Molar Volume: 123.4 cm3; (16)Surface Tension: 33.1 dyne/cm; (17)Density: 1.046 g/cm3; (18)Flash Point: 65.4 °C; (19)Enthalpy of Vaporization: 42.08 kJ/mol; (20)Boiling Point: 184.6 °C at 760 mmHg; (21)Vapour Pressure: 0.729 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=CCN1CCOCC1
(2) InChI: InChI=1/C6H11NO2/c8-4-1-7-2-5-9-6-3-7/h4H,1-3,5-6H2
(3) InChIKey: KKOPYUKQPCQGEM-UHFFFAOYAX