Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(4-Hydroxyphenethylamino)-1-(4-hydroxyphenyl)propan-1-one |
EINECS | 1533716-785-6 |
CAS No. | 779979-39-4 | Density | 1.202 |
PSA | 69.56000 | LogP | 2.89220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H19NO3 | Boiling Point | 505.5 °C at 760 mmHg |
Molecular Weight | 285.343 | Flash Point | 259.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(4-Hydroxyphenyl)-2-{[2-(4-hydroxyphenyl)ethyl]amino}propan-1-one;1-propanone, 1-(4-hydroxyphenyl)-2-[[2-(4-hydroxyphenyl)ethyl]amino]-;1-[[(4-Hydroxyphenyl)ethyl]amino]-1-propanone hydrochloride; |
Article Data | 2 |
The 2-(4-Hydroxyphenethylamino)-1-(4-hydroxyphenyl)propan-1-one, with the CAS registry number 779979-39-4, has the systematic name of 1-(4-hydroxyphenyl)-2-{[2-(4-hydroxyphenyl)ethyl]amino}propan-1-one. And the molecular formula of the chemical is C17H19NO3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 1.08; (6)ACD/BCF (pH 7.4): 22.65; (7)ACD/KOC (pH 5.5): 12.45; (8)ACD/KOC (pH 7.4): 260.02; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 81.98 cm3; (15)Molar Volume: 237.2 cm3; (16)Polarizability: 32.5×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.202 g/cm3; (19)Flash Point: 259.5 °C; (20)Enthalpy of Vaporization: 80.46 kJ/mol; (21)Boiling Point: 505.5 °C at 760 mmHg; (22)Vapour Pressure: 7.65E-11 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(O)cc1)C(NCCc2ccc(O)cc2)C
(2)InChI: InChI=1/C17H19NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,18-20H,10-11H2,1H3
(3)InChIKey: WNCXDNZVUJLFPD-UHFFFAOYAO