Phenol,2,4,6-tris[[bis(2-hydroxyethyl)amino]methyl]- supplier

Name
2,4,6-tris[[bis(2-hydroxyethyl)amino]methyl]phenol
EINECS 257-339-4
CAS No. 51658-22-1
Density 1.304 g/cm³
Solubility
Melting Point
Formula C₂₁H₃₉N₃O₇
Boiling Point 708.1 °C at 760 mmHg
Molecular Weight 445.557
Flash Point 402 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4,6-Tris[bis(2-hydroxyethyl)aminomethyl]phenol;
PSA
LogP

Phenol,2,4,6-tris[[bis(2-hydroxyethyl)amino]methyl]- Specification

The Phenol, 2, 4, 6-tris[[bis(2-hydroxyethyl)amino]methyl]-, with the CAS registry number 51658-22-1, is also known as 2, 4, 6-Tris{[bis(2-hydroxyethyl)amino]methyl}phenol. Its EINECS registry number is 257-339-4. This chemical's molecular formula is C₂₁H₃₉N₃O₇ and molecular weight is 445.55026. What's more, its IUPAC name is 2, 4, 6-Tris[[bis(2-hydroxyethyl)amino]methyl]phenol.

Physical properties about Phenol, 2, 4, 6-tris[[bis(2-hydroxyethyl)amino]methyl]- are: (1)ACD/LogP: -0.75; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.62; (4)ACD/LogD (pH 7.4): -1.93; (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: 10; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 25; (12)Polar Surface Area: 74.33 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 118.85 cm³; (15)Molar Volume: 341.6 cm³; (16)Polarizability: 47.11×10^-24 cm³; (17)Surface Tension: 69.7 dyne/cm; (18)Density: 1.304 g/cm³; (19)Flash Point: 402 °C; (20)Enthalpy of Vaporization: 108.75 kJ/mol; (21)Boiling Point: 708.1 °C at 760 mmHg; (22)Vapour Pressure: 4.8E-21 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1c(cc(cc1CN(CCO)CCO)CN(CCO)CCO)CN(CCO)CCO
(2) InChI: InChI=1/C21H39N3O7/c25-7-1-22(2-8-26)15-18-13-19(16-23(3-9-27)4-10-28)21(31)20(14-18)17-24(5-11-29)6-12-30/h13-14,25-31H,1-12,15-17H2
(3) InChIKey: XWRUCIJUEHCQDD-UHFFFAOYAF

Product Name

2,4,6-tris[[bis(2-hydroxyethyl)amino]methyl]phenol

Phenol,2,4,6-tris[[bis(2-hydroxyethyl)amino]methyl]- Specification

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