Bis(2,4-dimethoxybenzyl)amine supplier

Name
BIS(2,4-DIMETHOXYBENZYL)AMINE
EINECS 244-037-2
CAS No. 20781-23-1
Article Data11
CAS DataBase
Density 1.103 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₃NO₄
Boiling Point 443.534 °C at 760 mmHg
Molecular Weight 317.385
Flash Point 188.736 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Dibenzylamine,2,2',4,4'-tetramethoxy- (8CI);Bis(2,4-dimethoxybenzyl)amine;
PSA 48.95000
LogP 3.40170

Bis(2,4-dimethoxybenzyl)amine Specification

The Bis(2,4-dimethoxybenzyl)amine with the cas number 20781-23-1 is also called Benzenemethanamine,N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-. The IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine. Its EINECS registry number is 244-037-2. The molecular formula is C₁₈H₂₃NO₄.

The properties of the chemical are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 20.69; (7)ACD/KOC (pH 5.5): 4.02; (8)ACD/KOC (pH 7.4): 203.56; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 40.16 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 90.59 cm³; (15)Molar Volume: 287.7 cm³; (16)Polarizability: 35.91×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Enthalpy of Vaporization: 70.12 kJ/mol; (19)Vapour Pressure: 4.6×10^-8 mmHg at 25°C.

Preparation: This chemical can be prepared by [benzotriazol-1-yl-(2,4-dimethoxy-phenyl)-methyl]-(2,4-dimethoxy-benzylidene)-amine. This reaction needs reagent LiAlH₄ and solvent tetrahydrofuran at Ambient temperature. The reaction time is 30 min. The yield is 89%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(OC)ccc1CNCc2ccc(OC)cc2OC)C
(2)InChI: InChI=1/C18H23NO4/c1-20-15-7-5-13(17(9-15)22-3)11-19-12-14-6-8-16(21-2)10-18(14)23-4/h5-10,19H,11-12H2,1-4H3
(3)InChIKey: IZWMZVDEYOKQCG-UHFFFAOYAZ

Product Name

BIS(2,4-DIMETHOXYBENZYL)AMINE

Bis(2,4-dimethoxybenzyl)amine Specification

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