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| CAS No.: | 26934-35-0 | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Name: | 4-[3-(Dimethylamino)propoxy]benzaldehyde | ||||||||
| Article Data: | 16 | ||||||||
| Molecular Structure: | |||||||||
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| Formula: | C12H17 N O2 | ||||||||
| Molecular Weight: | 207.272 | ||||||||
| Synonyms: | Benzaldehyde,p-[3-(dimethylamino)propoxy]- (6CI,7CI,8CI);4-(3-Dimethylaminopropoxy)benzaldehyde; | ||||||||
| Density: | 1.044g/cm3 | ||||||||
| Boiling Point: | 325.4 °C at 760 mmHg | ||||||||
| Flash Point: | 150.6 °C | ||||||||
| Hazard Symbols: |
 Xi
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| Risk Codes: | R36/37/38 | ||||||||
| Safety: |
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| PSA: | 29.54000 | ||||||||
| LogP: | 1.82960 | ||||||||
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Specification
The 4-[3-(Dimethylamino)propoxy]benzaldehyde with cas registry number of 26934-35-0, is also called Benzaldehyde,p-[3-(dimethylamino)propoxy]- (6CI,7CI,8CI) .The 4-[3-(Dimethylamino)propoxy]benzaldehyde belongs to the following product categories: (1)Aldehydes; (2)C10 to C21; (3)Carbonyl Compounds .
Physical properties of 4-[3-(Dimethylamino)propoxy]benzaldehyde : (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.4; (4)ACD/LogD (pH 7.4): -0.25; (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): 2.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 61.93 cm3; (15)Molar Volume: 198.3 cm3; (16)Polarizability: 24.55×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Enthalpy of Vaporization: 56.76 kJ/mol; (19)Vapour Pressure: 0.00023 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 4-[3-(Dimethylamino)propoxy]benzaldehyde irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:(1)SMILES:O=Cc1ccc(OCCCN(C)C)cc1; (2)InChI:InChI=1/C12H17NO2/c1-13(2)8-3-9-15-12-6-4-11(10-14)5-7-12/h4-7,10H,3,8-9H2,1-2H3; (3)InChIKey:ZYOHTXKOHWSJMZ-UHFFFAOYAY; (4)Std. InChI:InChI=1S/C12H17NO2/c1-13(2)8-3-9-15-12-6-4-11(10-14)5-7-12/h4-7,10H,3,8-9H2,1-2H3; (5)Std. InChIKey:ZYOHTXKOHWSJMZ-UHFFFAOYSA-N.