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26972-56-5

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Basic Information
CAS No.: 26972-56-5
Name: N-(2,2-dimethoxyethyl)aniline
Article Data: 4
Molecular Structure:
Molecular Structure of 26972-56-5 (N-(2,2-dimethoxyethyl)aniline)
Formula: C10H15NO2
Molecular Weight: 181.235
Synonyms: Acetaldehyde,anilino-, dimethyl acetal (8CI);Aniline, N-(2,2-dimethoxyethyl)- (8CI);N-Phenyl-N-(2,2-dimethoxyethyl)amine;N-(2,2-Dimethoxyethyl)aniline;
EINECS: 248-149-2
Density: 1.056 g/cm3
Boiling Point: 288.5 °C at 760 mmHg
Flash Point: 114.4 °C
PSA: 30.49000
LogP: 1.79040
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Specification

The Benzenamine, N-(2,2-dimethoxyethyl)-, with the CAS registry number 26972-56-5 and EINECS registry number 248-149-2, has the systematic name of N-(2,2-dimethoxyethyl)aniline. And the molecular formula of the chemical is C10H15NO2.

The characteristics of Benzenamine, N-(2,2-dimethoxyethyl)- are as followings: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.23; (6)ACD/BCF (pH 7.4): 5.3; (7)ACD/KOC (pH 5.5): 113.38; (8)ACD/KOC (pH 7.4): 114.87; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 53.2 cm3; (15)Molar Volume: 171.5 cm3; (16)Polarizability: 21.09×10-24cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.056 g/cm3; (19)Flash Point: 114.4 °C; (20)Enthalpy of Vaporization: 52.77 kJ/mol; (21)Boiling Point: 288.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00233 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(C(OC)CNc1ccccc1)C
(2)InChI: InChI=1/C10H15NO2/c1-12-10(13-2)8-11-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3
(3)InChIKey: HGWZXKUBDUDGSN-UHFFFAOYAW