1H-1,4-Diazepine-1,4(5H)-dipropanol,tetrahydro- (19970-80-0)

The Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol with the cas number 19970-80-0 is also called 1H-1,4-Diazepine-1,4(5H)-dipropanol,tetrahydro-. The IUPAC name is 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol. Its EINECS registry number is 243-445-8. The molecular formula is C₁₁H₂₄N₂O₂.

The properties of the chemical are: (1)ACD/LogP: -1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.43; (4)ACD/LogD (pH 7.4): -2.64; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 24.94 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 61.18 cm³; (15)Molar Volume: 209.4 cm³; (16)Polarizability: 24.25×10^-24cm³; (17)Surface Tension: 40.2 dyne/cm; (18)Enthalpy of Vaporization: 70.21 kJ/mol; (19)Vapour Pressure: 1.16×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCN1CCCN(CCCO)CC1
(2)InChI: InChI=1/C11H24N2O2/c14-10-2-6-12-4-1-5-13(9-8-12)7-3-11-15/h14-15H,1-11H2
(3)InChIKey: WYKDLBVWXHCAJC-UHFFFAOYAM