CAS No.847063-13-2,1-[[2-(4-Chlorophenyl)ethyl]amino]-2-hydroxypropane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	847063-13-2
Name:	1-[[2-(4-Chlorophenyl)ethyl]amino]-2-hydroxypropane
Article Data:	11

Formula:	C₁₁H₁₆ClNO
Molecular Weight:	213.707
Synonyms:	1-[[2-(4-Chlorophenyl)ethyl]amino]-2-hydroxypropane;
EINECS:	810-476-9
Density:	1.122 g/cm³
Boiling Point:	342.336 °C at 760 mmHg
Flash Point:	160.839 °C
PSA:	32.26000
LogP:	2.24380

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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