Hydrazinecarboxaldehyde,2-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]- (9CI) (170985-85-0)

The 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]hydrazinecarboxaldehyde, with the CAS registry number 170985-85-0, has the systematic name of N'-[(2S,3S)-2-(benzyloxy)pentan-3-yl]formic hydrazide. And the molecular formula of the chemical is C₁₃H₂₀N₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 55; (6)ACD/BCF (pH 7.4): 55; (7)ACD/KOC (pH 5.5): 613; (8)ACD/KOC (pH 7.4): 614; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 50.36 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 68.006 cm³; (15)Molar Volume: 226.851 cm3; (16)Polarizability: 26.96×10^-24cm³; (17)Surface Tension: 37.676 dyne/cm; (18)Density: 1.042 g/cm³; (19)Flash Point: 158.538 °C; (20)Enthalpy of Vaporization: 58.189 kJ/mol; (21)Boiling Point: 338.531 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=CNN[C@H]([C@@H](OCc1ccccc1)C)CC
(2)InChI: InChI=1/C13H20N2O2/c1-3-13(15-14-10-16)11(2)17-9-12-7-5-4-6-8-12/h4-8,10-11,13,15H,3,9H2,1-2H3,(H,14,16)/t11-,13-/m0/s1
(3)InChIKey: LNEGZKZTVLXZFX-AAEUAGOBBS