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71477-82-2

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Basic Information
CAS No.: 71477-82-2
Name: 2,6-Diethylaniline·hydrochloride
Article Data: 1
Molecular Structure:
Molecular Structure of 71477-82-2 (2,6-Diethylaniline·hydrochloride)
Formula: C10H16ClN
Molecular Weight: 185.697
Synonyms: Benzenamine,2,6-diethyl-, hydrochloride (9CI);2,6-Diethylaniline hydrochloride;2,6-Diethylaniline hydrochloride (1:1);
Melting Point: 175-179 °C (decomp)
Boiling Point: 281.7 °C at 760 mmHg
Flash Point: 124.2 °C
PSA: 26.02000
LogP: 3.77680
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Specification

The Benzenamine,2,6-diethyl-, hydrochloride (1:1), with the CAS registry number 71477-82-2, is also known as 2,6-Diethylaniline hydrochloride (1:1). This chemical's molecular formula is C10H16ClN and molecular weight is 185.69. What's more, its systematic name is 2,6-diethylaniline hydrochloride.

Physical properties of Benzenamine,2,6-diethyl-, hydrochloride (1:1) are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 93.4; (6)ACD/BCF (pH 7.4): 97.34; (7)ACD/KOC (pH 5.5): 884.78; (8)ACD/KOC (pH 7.4): 922.08; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.02 Å2; (13)Flash Point: 124.2 °C; (14)Enthalpy of Vaporization: 53.09 kJ/mol; (15)Boiling Point: 281.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00269 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CCc1cccc(CC)c1N
(2)InChI: InChI=1S/C10H15N.ClH/c1-3-8-6-5-7-9(4-2)10(8)11;/h5-7H,3-4,11H2,1-2H3;1H
(3)InChIKey: XCFIHFFLRASFMY-UHFFFAOYSA-N