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24828-38-4

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Basic Information
CAS No.: 24828-38-4
Name: 4-Diethylamino-2-methylphenylammonium chloride
Molecular Structure:
Molecular Structure of 24828-38-4 (4-Diethylamino-2-methylphenylammonium chloride)
Formula: C11H19ClN2
Molecular Weight: 214.73
Synonyms: 1,4-Benzenediamine,N4,N4-diethyl-2-methyl-, hydrochloride (9CI);Toluene-2,5-diamine, N5,N5-diethyl-,hydrochloride (7CI,8CI);2-Amino-5-(diethylamino)toluene hydrochloride;2-Methyl-4-(diethylamino)aniline hydrochloride;4-(N,N-Diethylamino)-2-methylaniline hydrochloride;4-Amino-3-methyl-N,N-diethylanilinehydrochloride;N,N-Diethyl-3-methyl-4-aminoaniline hydrochloride;N,N-Diethyl-3-methyl-p-phenylenediamine hydrochloride;
EINECS: 246-484-9
Melting Point: 225 °C
Boiling Point: 300.3 °C at 760 mmHg
Flash Point: 122 °C
PSA: 30.88000
LogP: -1.28140
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Specification

The IUPAC name of 4-Diethylamino-2-methylphenylammonium chloride is 4-N,4-N-Diethyl-2-methylbenzene-1,4-diamine hydrochloride. With the CAS registry number 24828-38-4, it is also named as 4-Diethylamino-o-toluidine HCl. In addition, its molecular formula is C11H19ClN2 and its molecular weight is 214.73. 

The other characteristics of 4-Diethylamino-2-methylphenylammonium chloride can be summarized as: (1)EINECS: 246-484-9; (2)ACD/LogP: 2.27; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.04; (5)ACD/LogD (pH 7.4): 1.36; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 3.87; (8)ACD/KOC (pH 5.5): 2; (9)ACD/KOC (pH 7.4): 50.67; (10)H bond acceptors: 2; (11)H bond donors: 2; (12)Freely Rotating Bonds: 4; (13)Polar Surface Area: 3.24 Å2; (14)Flash Point: 122 °C; (15)Enthalpy of Vaporization: 54.03 kJ/mol; (16)Boiling Point: 300.3 °C at 760 mmHg; (17)Vapour Pressure: 0.00113 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:[Cl-].Nc1ccc(cc1C)[NH+](CC)CC
(2)InChI:InChI=1/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H
(3)InChIKey:MPLZNPZPPXERDA-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H
(5)Std. InChIKey:MPLZNPZPPXERDA-UHFFFAOYSA-N