3-Benzamidophenyliminodiethyl diacetate supplier

Name
3-Benzamidophenyliminodiethyl diacetate
EINECS 256-064-7
CAS No. 43051-43-0
Density 1.23 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₄N₂O₅
Boiling Point 472.9 °C at 760 mmHg
Molecular Weight 384.4257
Flash Point 239.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3'-[Bis(2-acetoxyethyl)amino]benzanilide;{[3-(benzoylamino)phenyl]imino}diethane-2,1-diyl diacetate;2-[N-(2-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate;Benzamide, N-(3-(bis(2-(acetyloxy)ethyl)amino)phenyl)-;
PSA 84.94000
LogP 2.94450

3-Benzamidophenyliminodiethyl diacetate Specification

The Benzamide,N-[3-[bis[2-(acetyloxy)ethyl]amino]phenyl]-, with the CAS registry number 43051-43-0 and EINECS registry number 256-064-7, has the IUPAC name of 2-[N-(2-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate. And the molecular formula of the chemical is C₂₁H₂₄N₂O₅.

The characteristics of Benzamide,N-[3-[bis[2-(acetyloxy)ethyl]amino]phenyl]- are as followings: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 93.66; (6)ACD/BCF (pH 7.4): 110.04; (7)ACD/KOC (pH 5.5): 856.37; (8)ACD/KOC (pH 7.4): 1006.19; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 76.15 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 106.48 cm³; (15)Molar Volume: 312.3 cm³; (16)Polarizability: 42.21×10^-24cm³; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 239.8 °C; (20)Enthalpy of Vaporization: 73.6 kJ/mol; (21)Boiling Point: 472.9 °C at 760 mmHg; (22)Vapour Pressure: 4.11E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCN(c1cccc(c1)NC(=O)c2ccccc2)CCOC(=O)C)C
(2)InChI: InChI=1/C21H24N2O5/c1-16(24)27-13-11-23(12-14-28-17(2)25)20-10-6-9-19(15-20)22-21(26)18-7-4-3-5-8-18/h3-10,15H,11-14H2,1-2H3,(H,22,26)
(3)InChIKey: HOGOIYHXIXLXGA-UHFFFAOYAX

Product Name

3-Benzamidophenyliminodiethyl diacetate

3-Benzamidophenyliminodiethyl diacetate Specification

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