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82413-63-6

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Basic Information
CAS No.: 82413-63-6
Name: 4-(MORPHOLINOMETHYL)BENZALDEHYDE
Article Data: 15
Molecular Structure:
Molecular Structure of 82413-63-6 (4-(MORPHOLINOMETHYL)BENZALDEHYDE)
Formula: C12H15NO2
Molecular Weight: 205.257
Synonyms: 4-(Morpholin-4-ylmethyl)benzaldehyde;4-Morpholinomethylbenzaldehyde;
Density: 1.149 g/cm3
Boiling Point: 328.4 °C at 760 mmHg
Flash Point: 152.4 °C
PSA: 29.54000
LogP: 1.26920
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Specification

The Benzaldehyde,4-(4-morpholinylmethyl)-, with the CAS registry number 82413-63-6, is also known as 4-Morpholinomethylbenzaldehyde. This chemical's molecular formula is C12H15NO2 and molecular weight is 205.25. What's more, its systematic name is 4-Morpholinomethylbenzaldehyde.

Physical properties about Benzaldehyde,4-(4-morpholinylmethyl)- are: (1) ACD/LogP: 0.60; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.62; (4) ACD/LogD (pH 7.4): 0.52; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1.4; (7) ACD/KOC (pH 5.5): 3.07; (8) ACD/KOC (pH 7.4): 42.09; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 29.54 Å2; (13) Index of Refraction: 1.581; (14) Molar Refractivity: 59.53 cm3; (15) Molar Volume: 178.5 cm3; (16) Polarizability: 23.6×10-24 cm3; (17) Surface Tension: 47.3 dyne/cm; (18) Density: 1.149 g/cm3; (19) Flash Point: 152.4 °C; (20) Enthalpy of Vaporization: 57.08 kJ/mol; (21) Boiling Point: 328.4 °C at 760 mmHg; (22) Vapour Pressure: 0.00019 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(cc1)CN2CCOCC2
(2) InChI: InChI=1/C12H15NO2/c14-10-12-3-1-11(2-4-12)9-13-5-7-15-8-6-13/h1-4,10H,5-9H2
(3) InChIKey: KMAHWHPUXGNVBN-UHFFFAOYAL