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21635-78-9

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Basic Information
CAS No.: 21635-78-9
Name: N-Ethyl-N-ethoxylethyl-4-amino benzaldehyde
Molecular Structure:
Molecular Structure of 21635-78-9 (N-Ethyl-N-ethoxylethyl-4-amino benzaldehyde)
Formula: C13H19NO2
Molecular Weight: 221.30
Synonyms: Benzaldehyde,p-[(2-ethoxyethyl)ethylamino]- (8CI);4-[(2-Ethoxyethyl)(ethyl)amino]benzaldehyde;benzaldehyde, 4-[(2-ethoxyethyl)ethylamino]-;
Density: 1.046 g/cm3
Boiling Point: 347.8 °C at 760 mmHg
Flash Point: 164.2 °C
PSA: 29.54000
LogP: 2.36190
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Specification

The N-Ethyl-N-ethoxylethyl-4-amino benzaldehyde, with the CAS registry number 21635-78-9, has the systematic name of 4-[2-ethoxyethyl(ethyl)amino]benzaldehyde. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C13H19NO2.

The characteristics of N-Ethyl-N-ethoxylethyl-4-amino benzaldehyde are as followings: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79 ; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 29.54 Å2; (9)Index of Refraction: 1.552; (10)Molar Refractivity: 67.59 cm3; (11)Molar Volume: 211.4 cm3; (12)Polarizability: 26.79×10-24cm3; (13)Surface Tension: 40.3 dyne/cm; (14)Density: 1.046 g/cm3; (15)Flash Point: 164.2 °C; (16)Enthalpy of Vaporization: 59.22 kJ/mol; (17)Boiling Point: 347.8 °C at 760 mmHg; (18)Vapour Pressure: 5.24E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCN(CCOCC)c1ccc(cc1)C=O
(2)InChI: InChI=1/C13H19NO2/c1-3-14(9-10-16-4-2)13-7-5-12(11-15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
(3)InChIKey: VPQDJWZOKQGORL-UHFFFAOYAY