1-Propanol,3-[(phenylmethyl)amino]- (4720-29-0)

The N-Benzyl-3-aminopropan-1-ol with the cas number 4720-29-0 is also called 1-Propanol,3-[(phenylmethyl)amino]-. Both the systematic name and IUPAC name are 3-(benzylamino)propan-1-ol. Its EINECS registry number is 225-210-1. The molecular formula is C₁₀H₁₅NO.

The properties of the chemical are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.93; (4)ACD/LogD (pH 7.4): -0.88; (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: 6; (12)Polar Surface Area: 12.47Ų; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 50.19 cm³; (15)Molar Volume: 161.5 cm³; (16)Polarizability: 19.89×10^-24cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Enthalpy of Vaporization: 55.89 kJ/mol; (19)Vapour Pressure: 0.000991 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of benzaldehyde and 3-amino-propan-1-ol. This reaction needs reagent H₂ and catalyst Pt.

Uses: This chemical can react with morpholine to prepare 3-benzyl-2-morpholin-4-yl-[1,3,2]oxazaphosphinane. This reaction needs reagent PCl₃. The yield is 46%.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCNCc1ccccc1
(2)InChI: InChI=1/C10H15NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
(3)InChIKey: ZQJXSIOFSZYGMH-UHFFFAOYAX