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2-Propanol,1-[[2-(4-chlorophenyl)ethyl]amino]- (847063-13-2)

Identification
Name:2-Propanol,1-[[2-(4-chlorophenyl)ethyl]amino]-
Synonyms:1-[[2-(4-Chlorophenyl)ethyl]amino]-2-hydroxypropane;
CAS:847063-13-2
Molecular Formula: C11H16ClNO
Molecular Weight: 213.70
InChI: InChI=1/C11H16ClNO/c1-9(14)8-13-7-6-10-2-4-11(12)5-3-10/h2-5,9,13-14H,6-8H2,1H3
Molecular Structure: (C11H16ClNO) 1-[[2-(4-Chlorophenyl)ethyl]amino]-2-hydroxypropane;
Properties
Density:1.122 g/cm3
Refractive index:1.539
Specification:

The 1-[[2-(4-Chlorophenyl)ethyl]amino]-2-hydroxypropane is an organic compound with the formula C11H16ClNO. The IUPAC name of this chemical is 1-[2-(4-chlorophenyl)ethylamino]propan-2-ol. With the CAS registry number 847063-13-2, it is also named as 2-propanol, 1-[[2-(4-chlorophenyl)ethyl]amino]-.

Physical properties about 1-[[2-(4-Chlorophenyl)ethyl]amino]-2-hydroxypropane are: (1)ACD/LogP: 2.09; (2)ACD/LogD (pH 5.5): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 32.26 Å2; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 59.684 cm3; (13)Molar Volume: 190.42 cm3; (14)Polarizability: 23.661×10-24cm3; (15)Surface Tension: 40.769 dyne/cm; (16)Density: 1.122 g/cm3; (17)Flash Point: 160.839 °C; (18)Enthalpy of Vaporization: 61.855 kJ/mol; (19)Boiling Point: 342.336 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CCNCC(O)C
(2)InChI: InChI=1/C11H16ClNO/c1-9(14)8-13-7-6-10-2-4-11(12)5-3-10/h2-5,9,13-14H,6-8H2,1H3
(3)InChIKey: URWKQIHYBHDHPD-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H16ClNO/c1-9(14)8-13-7-6-10-2-4-11(12)5-3-10/h2-5,9,13-14H,6-8H2,1H3
(5)Std. InChIKey: URWKQIHYBHDHPD-UHFFFAOYSA-N

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