DG0875000
The N,N-Diethylbutane-1,4-diamine, with the CAS registry number of 19435-68-8, is also known as 1,4-Butanediamine, N,N'-diethyl-. Its EINECS registry number is 243-064-7. This chemical's molecular formula is C8H20N2 and molecular weight is 144.257800. What's more, its IUPAC name is N,N'-Diethylbutane-1,4-diamine.
Physical properties about the N,N-Diethylbutane-1,4-diamine are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/LogD (pH 7.4): -3.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 46.3 cm3; (15)Molar Volume: 178.2 cm3; (16)Surface Tension: 27 dyne/cm; (17)Density: 0.809 g/cm3; (18)Flash Point: 75.5 °C; (19)Enthalpy of Vaporization: 43.79 kJ/mol; (20)Boiling Point: 201.7 °C at 760 mmHg; (21)Vapour Pressure: 0.304 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N(CC)CCCCNCC
(2) InChI: InChI=1/C8H20N2/c1-3-9-7-5-6-8-10-4-2/h9-10H,3-8H2,1-2H3
(3) InChIKey: WHDUKLPCKZTPFY-UHFFFAOYAZ
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