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| CAS No.: | 465514-09-4 |
|---|---|
| Name: | 2-MORPHOLINONICOTINALDEHYDE |
| Article Data: | 2 |
| Molecular Structure: | |
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|
|
| Formula: | C10H12N2O2 |
| Molecular Weight: | 192.217 |
| Synonyms: | 2-(Morpholin-4-yl)pyridine-3-carboxaldehyde;2-(Morpholino)pyridine-3-carboxaldehyde;2-Morpholinonicotinaldehyde; |
| Density: | 1.219 g/cm3 |
| Melting Point: | 54 ºC |
| Boiling Point: | 371 ºC at 760 mmHg |
| Flash Point: | 178.2 ºC |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 42.43000 |
| LogP: | 0.79570 |
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- Total:25 Page 1 of 1 1
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Specification
The 2-Morpholinopyridine-3-carboxaldehyde with cas registry number of 465514-09-4, whose systematic name is 2-morpholin-4-ylpyridine-3-carbaldehyde. Its raw materials are Hydrochloric acid-->Ethyl acetate-->Tetrahydrofuran-->Sodium-->N,N-Dimethylformamide-->Sodium sulfate-->Magnesium sulfate-->Triethylamine-->Ammonium hydroxide-->Sodium chloride-->n-Butyllithium-->Hexane-->Nitrogen-->Ammonium chloride -->1-Oxa-4-azacyclohexane-->Diisopropylamine-->2-Chloropyridine-->1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone.
Physical properties about this chemical are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.99; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.78; (8)ACD/KOC (pH 7.4): 18.6; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 52.9 cm3; (15)Molar Volume: 157.6 cm3; (16)Polarizability: 20.97×10-24cm3; (17)Surface Tension: 52.2 dyne/cm; (18)Enthalpy of Vaporization: 61.8 kJ/mol; (19)Vapour Pressure: 1.06E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=Cc1c(nccc1)N2CCOCC2;
(2)InChI:InChI=1/C10H12N2O2/c13-8-9-2-1-3-11-10(9)12-4-6-14-7-5-12/h1-3,8H,4-7H2;
(3)InChIKey:CCPVZIBHRFCNTR-UHFFFAOYAB;
(4)Std. InChI:InChI=1S/C10H12N2O2/c13-8-9-2-1-3-11-10(9)12-4-6-14-7-5-12/h1-3,8H,4-7H2;
(5)Std. InChIKey:CCPVZIBHRFCNTR-UHFFFAOYSA-N.