1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate supplier

Name
1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate
EINECS 298-232-2
CAS No. 93783-29-0
Density
Solubility
Melting Point
Formula C₂₂H₄₉N₃O₄S
Boiling Point 558.1 °C at 760 mmHg
Molecular Weight 449.69128
Flash Point 291.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(3-methyl-2-pentadecyl-imidazolidin-1-ium-1-yl)ethanamine; methyl sulfate;2-(3-methyl-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine;;
PSA
LogP

1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate Specification

The 1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate, with the CAS registry number 93783-29-0 and EINECS registry number 298-232-2, has the systematic name of 2-(3-methyl-2-pentadecyl-imidazolidin-1-ium-1-yl)ethanamine; methyl sulfate. And the molecular formula of the chemical is C₂₂H₄₇N₃O₄S.

The characteristics of 1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate are as followings: (1)ACD/LogP: 6.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.77 ; (5)#H bond acceptors: 7; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 18; (8)Polar Surface Area: 108.51 Å²; (9)Flash Point: 291.3 °C; (10)Enthalpy of Vaporization: 91.84 kJ/mol; (11)Boiling Point: 558.1 °C at 760 mmHg; (12)Vapour Pressure: 6.39E-14 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CN1CC[NH+](CCN)C1CCCCCCCCCCCCCCC.[O-]S(=O)(=O)OC
(2)InChI: InChI=1/C21H45N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-23(2)19-20-24(21)18-17-22;1-5-6(2,3)4/h21H,3-20,22H2,1-2H3;1H3,(H,2,3,4)
(3)InChIKey: UPAMTTLKRSAJOD-UHFFFAOYAI

Product Name

1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate

1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate Specification

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