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The Benzenemethanamine,N-(2-chloroethyl)-N-ethyl-2-methyl-, hydrochloride (1:1), with the CAS registry number 57913-68-5, is also known as Xylamine hydrochloride. This chemical's molecular formula is C12H19Cl2N and molecular weight is 248.19. What's more, its systematic name is 2-chloro-N-ethyl-N-(2-methylbenzyl)ethanaminium chloride.
Physical properties of Benzenemethanamine,N-(2-chloroethyl)-N-ethyl-2-methyl-, hydrochloride (1:1) are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 2.36; (6)ACD/BCF (pH 7.4): 101.16; (7)ACD/KOC (pH 5.5): 17.26; (8)ACD/KOC (pH 7.4): 740.36; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å2; (13)Flash Point: 104.6 °C; (14)Enthalpy of Vaporization: 48.66 kJ/mol; (15)Boiling Point: 249.3 °C at 760 mmHg; (16)Vapour Pressure: 0.023 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].ClCC[NH+](Cc1ccccc1C)CC
(2)Std. InChI: InChI=1S/C12H18ClN.ClH/c1-3-14(9-8-13)10-12-7-5-4-6-11(12)2;/h4-7H,3,8-10H2,1-2H3;1H
(3)Std. InChIKey: GAAOKTBHSXYRNH-UHFFFAOYSA-N