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35945-16-5

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Basic Information
CAS No.: 35945-16-5
Name: N,N-diethyl-2,5-diethoxyaniline
Molecular Structure:
Molecular Structure of 35945-16-5 (N,N-diethyl-2,5-diethoxyaniline)
Formula: C14H23NO2
Molecular Weight: 237.34
Synonyms: 2,5-Diethoxy-N,N-diethylaniline;N,N-Diethyl-2,5-diethoxyaniline;
EINECS: 252-806-9
Density: 0.982 g/cm3
Boiling Point: 305.4 °C at 760 mmHg
Flash Point: 87.7 °C
PSA: 21.70000
LogP: 3.33020
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Specification

The Benzenamine,2,5-diethoxy-N,N-diethyl-, with the CAS registry number 35945-16-5, is also known as N,N-Diethyl-2,5-diethoxyaniline. Its EINECS number is 252-806-9. This chemical's molecular formula is C14H23NO2 and molecular weight is 237.34. What's more, its systematic name is 2,5-diethoxy-N,N-diethylaniline.

Physical properties of Benzenamine,2,5-diethoxy-N,N-diethyl- are: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 3.99; (5)ACD/BCF (pH 5.5): 20.1; (6)ACD/BCF (pH 7.4): 563.49; (7)ACD/KOC (pH 5.5): 99.83; (8)ACD/KOC (pH 7.4): 2798.4; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 72.45 cm3; (15)Molar Volume: 241.4 cm3; (16)Polarizability: 28.72×10-24cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 0.982 g/cm3; (19)Flash Point: 87.7 °C; (20)Enthalpy of Vaporization: 54.58 kJ/mol; (21)Boiling Point: 305.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000825 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(OCC)cc1N(CC)CC)CC
(2)InChI: InChI=1S/C14H23NO2/c1-5-15(6-2)13-11-12(16-7-3)9-10-14(13)17-8-4/h9-11H,5-8H2,1-4H3
(3)InChIKey: XXJMDOIBGIZHNR-UHFFFAOYSA-N