1-Butanamine,N-butyl-N-(3-chloropropyl)-, hydrochloride (1:1) (115555-77-6)

The N-Butyl-N-(3-chloropropyl)-1-butanamine hydrochloride with cas registry number of 115555-77-6, is also named 1-Butanamine,N-butyl-N-(3-chloropropyl)-, hydrochloride (9CI) ; 1-Dibutylamino-3-chloropropane hydrochloride .

Physical properties of N-Butyl-N-(3-chloropropyl)-1-butanamine hydrochloride :(1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 52; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Enthalpy of Vaporization: 53.93 kJ/mol; (13)Vapour Pressure: 0.00168 mmHg at 25°C .

You can still convert the following datas into molecular structure:(1)SMILES:Cl.CCCCN(CCCCl)CCCC; (2)InChI:InChI=1/C11H24ClN.ClH/c1-3-5-9-13(10-6-4-2)11-7-8-12;/h3-11H2,1-2H3;1H; (3)InChIKey:UURRECHSOADBEG-UHFFFAOYAG; (4)Std. InChI:InChI=1S/C11H24ClN.ClH/c1-3-5-9-13(10-6-4-2)11-7-8-12;/h3-11H2,1-2H3;1H; (5)Std. InChIKey:UURRECHSOADBEG-UHFFFAOYSA-N.