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| CAS No.: | 27913-98-0 |
|---|---|
| Name: | 4-PIPERAZIN-1-YL-BENZALDEHYDE |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H14N2O |
| Molecular Weight: | 190.245 |
| Synonyms: | 4-Piperazin-1-yl-benzaldehyde;4-(Piperazin-1-yl)benzaldehyde;Benzaldehyde, 4-(1-piperazinyl)-; |
| EINECS: | 604-604-1 |
| Density: | 1.123 g/cm3 |
| Boiling Point: | 373.6 °C at 760 mmHg |
| Flash Point: | 179.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 32.34000 |
| LogP: | 1.30250 |
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- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| In 2-methoxy-ethanol; water for 3h; Heating; | 68% |
| In 2-methoxy-ethanol; water for 3h; Reflux; | 65.9% |
| In 2-methoxy-ethanol for 3h; Reflux; | 65% |
- 197638-83-8
4-(4-(1,1-dimethylethoxycarbonyl)piperazinyl)benzaldehyde
- 27913-98-0
4-(piperazin-1-yl) benzaldehyde
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid In dichloromethane at 20℃; for 1.5h; |
- 27913-98-0
4-(piperazin-1-yl) benzaldehyde
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon In methanol at 120℃; for 24h; Sealed tube; | 92.6% |
- 27913-98-0
4-(piperazin-1-yl) benzaldehyde
- 24424-99-5
di-tert-butyl dicarbonate
- 197638-83-8
4-(4-(1,1-dimethylethoxycarbonyl)piperazinyl)benzaldehyde
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; dichloromethane at 20℃; for 16h; Inert atmosphere; | 92% |
- 27913-98-0
4-(piperazin-1-yl) benzaldehyde
- 23051-44-7
3-dicyanomethylidene-1,5,5-trimethylcyclohexene
| Conditions | Yield |
|---|---|
| In ethanol Concentration; Reflux; | 87% |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20 - 30℃; Inert atmosphere; | 83.1% |
- 27913-98-0
4-(piperazin-1-yl) benzaldehyde
| Conditions | Yield |
|---|---|
| With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 8h; | 82% |
| With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.8h; | 128 mg |
- 27913-98-0
4-(piperazin-1-yl) benzaldehyde
- 182344-68-9
6-bromo-2-(2-morpholinoethyl)-1H-benzo[de]isoquinoline1,3 (2 H)-dione
| Conditions | Yield |
|---|---|
| In 2-methoxy-ethanol at 80℃; for 8h; | 72% |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonamide In toluene at 120℃; for 12h; | 72% |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonamide In toluene at 120℃; for 12h; | 71% |
- Total:36 Page 1 of 1 1
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Specification
The 4-Piperazin-1-ylbenzaldehyde, with the CAS registry number 27913-98-0, is also known as Benzaldehyde, 4-(1-piperazinyl)-. This chemical's molecular formula is C11H14N2O and formula weight is 190.24. What's more, its IUPAC name is 4-piperazin-4-ium-1-ylbenzaldehyde.
Physical properties of 4-Piperazin-1-ylbenzaldehyde are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 5; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 32.34 Å2; (10)Index of Refraction: 1.582; (11)Molar Refractivity: 56.559 cm3; (12)Molar Volume: 169.4 cm3; (13)Surface Tension: 43.946 dyne/cm; (14)Density: 1.123 g/cm3; (15)Flash Point: 179.736 °C; (16)Enthalpy of Vaporization: 62.087 kJ/mol; (17)Boiling Point: 373.581 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES:O=Cc1ccc(cc1)N2CCNCC2
(2)InChI: InChI=1S/C11H14N2O/c14-9-10-1-3-11(4-2-10)13-7-5-12-6-8-13/h1-4,9,12H,5-8H2
(3)InChIKey: BTTAIIUFVILNAC-UHFFFAOYSA-N