The Benzenemethanamine,2,4-dichloro-N-methyl-, hydrochloride (1:1), with CAS registry number 90389-07-4, belongs to the following product categories: (1)Amines and Anilines; (2)Halides. It has the systematic name of 1-(2,4-dichlorophenyl)-N-methyl-methanamine hydrochloride. And the chemical formula of this chemical is C8H10Cl3N.
Physical properties of Benzenemethanamine,2,4-dichloro-N-methyl-, hydrochloride (1:1): (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): 1.65; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 12.03 Å2; (9)Enthalpy of Vaporization: 52.73 kJ/mol; (10)Vapour Pressure: 0.00331 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CNCc1ccc(cc1Cl)Cl.Cl
(2)InChI: InChI=1/C8H9Cl2N.ClH/c1-11-5-6-2-3-7(9)4-8(6)10;/h2-4,11H,5H2,1H3;1H
(3)InChIKey: YDLOOYIAVJPBIT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H9Cl2N.ClH/c1-11-5-6-2-3-7(9)4-8(6)10;/h2-4,11H,5H2,1H3;1H
(5)Std. InChIKey: YDLOOYIAVJPBIT-UHFFFAOYSA-N
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